3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
TL;DR: 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid (CAS 30880-72-9) is a chemical compound with molecular formula C14H10ClNO5 and molecular weight 307.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid
Also Known As: 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid, BENZOIC ACID,3-[(2-CHLORO-4-NITROPHENOXY)METHYL]-, Benzoic acid, 3-[(2-chloro-4-nitrophenoxy)methyl]-, 3-[(2-Chloro-4-nitrophenoxy)methyl]benzoato
| Molecular Formula | C14H10ClNO5 |
|---|---|
| Molecular Weight | 307.02 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 92.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 307.02475 |
| Heavy Atoms | 21 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 30880-72-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(=O)O)COC2=C(C=C(C=C2)[N+](=O)[O-])Cl |
| InChIKey | VMWNQMAQVXLDIL-UHFFFAOYSA-N |
Product Overview
3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid (CAS 30880-72-9), with molecular formula C14H10ClNO5 and molecular weight 307.02 g/mol. IUPAC: 3-[(2-chloro-4-nitrophenoxy)methyl]benzoic acid.
Chemical Property Profile of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
Property Insights of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid
The XLogP value of 3.4 indicates that 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid. Following Lipinski's Rule of Five, 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid has 1 hydrogen bond donor(s) and 5 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 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid?
The CAS number of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid is 30880-72-9.
What is the molecular formula of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid?
The molecular formula of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid is C14H10ClNO5.
What is the molecular weight of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid?
The molecular weight of 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid is 307.02 g/mol.
Where can I buy 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid?
You can request a quote for 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-Chloro-4-nitrophenoxy)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.