(2-Nitro-4-trifluorobenzyl)acetic acid
TL;DR: (2-Nitro-4-trifluorobenzyl)acetic acid (CAS 1735-91-7) is a chemical compound with molecular formula C9H6F3NO4 and molecular weight 249.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid
Also Known As: 2-Nitro-4-(trifluoromethyl)phenylacetic acid, 2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid, (2-Nitro-4-trifluorobenzyl)acetic acid, rarechem al bo 0474, [2-nitro-4-(trifluoromethyl)phenyl]acetic acid
| Molecular Formula | C9H6F3NO4 |
|---|---|
| Molecular Weight | 249.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.02489 |
| Heavy Atoms | 17 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 1735-91-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(F)(F)F)[N+](=O)[O-])CC(=O)O |
| InChIKey | DUDZAZPWJFTDPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(2-Nitro-4-trifluorobenzyl)acetic acid (CAS 1735-91-7), with molecular formula C9H6F3NO4 and molecular weight 249.02 g/mol. IUPAC: 2-[2-nitro-4-(trifluoromethyl)phenyl]acetic acid.
Chemical Property Profile of (2-Nitro-4-trifluorobenzyl)acetic acid
Property Insights of (2-Nitro-4-trifluorobenzyl)acetic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-Nitro-4-trifluorobenzyl)acetic acid. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-Nitro-4-trifluorobenzyl)acetic acid. Following Lipinski's Rule of Five, (2-Nitro-4-trifluorobenzyl)acetic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (2-Nitro-4-trifluorobenzyl)acetic acid?
The CAS number of (2-Nitro-4-trifluorobenzyl)acetic acid is 1735-91-7.
What is the molecular formula of (2-Nitro-4-trifluorobenzyl)acetic acid?
The molecular formula of (2-Nitro-4-trifluorobenzyl)acetic acid is C9H6F3NO4.
What is the molecular weight of (2-Nitro-4-trifluorobenzyl)acetic acid?
The molecular weight of (2-Nitro-4-trifluorobenzyl)acetic acid is 249.02 g/mol.
Where can I buy (2-Nitro-4-trifluorobenzyl)acetic acid?
You can request a quote for (2-Nitro-4-trifluorobenzyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-Nitro-4-trifluorobenzyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-Nitro-4-trifluorobenzyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.