Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester
TL;DR: Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester (CAS 67446-71-3) is a chemical compound with molecular formula C17H11ClF3NO5 and molecular weight 401.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
Also Known As: Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester, 5-(2-Chloro-4-(trifluoromethyl)phenoxy)-2-nitrobenzoyl chloride, Benzoic acid, 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitro-, 2-propen-1-yl ester, Prop-2-en-1-yl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate, prop-2-enyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate
| Molecular Formula | C17H11ClF3NO5 |
|---|---|
| Molecular Weight | 401.03 g/mol |
| LogP | 5.4021 |
| Topological Polar Surface Area | 78.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 401.02777 |
| Heavy Atoms | 27 |
| Complexity | 898.623 |
Chemical Identifiers
| CAS Number | 67446-71-3 |
|---|---|
| SMILES | C=CCOC(=O)C1=C(C=CC(=C1)OC2=C(C=C(C=C2)C(F)(F)F)Cl)[N+](=O)[O-] |
Product Overview
Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester (CAS 67446-71-3), with molecular formula C17H11ClF3NO5 and molecular weight 401.03 g/mol. IUPAC: prop-2-enyl 5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrobenzoate.
Chemical Property Profile of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester
Property Insights of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester
The XLogP value of 5.4021 indicates that Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.67 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester. Following Lipinski's Rule of Five, Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester?
The CAS number of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester is 67446-71-3.
What is the molecular formula of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester?
The molecular formula of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester is C17H11ClF3NO5.
What is the molecular weight of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester?
The molecular weight of Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester is 401.03 g/mol.
Where can I buy Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester?
You can request a quote for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitro-, 2-propenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.