2-Formyl-5-nitrobenzoic acid
TL;DR: 2-Formyl-5-nitrobenzoic acid (CAS 7464-91-7) is a chemical compound with molecular formula C8H5NO5 and molecular weight 195.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-formyl-5-nitrobenzoic acid
Also Known As: 2-formyl-5-nitrobenzoic acid, 2-Formyl-5-nitro-benzoic acid, 5-Nitrophthalaldehydic acid, Benzoic acid,2-formyl-5-nitro-, 2-carboxy-4-nitrobenzaldehyde
| Molecular Formula | C8H5NO5 |
|---|---|
| Molecular Weight | 195.02 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.01677 |
| Heavy Atoms | 14 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 7464-91-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)C=O |
| InChIKey | IQZDAZHSOLMQJD-UHFFFAOYSA-N |
Product Overview
2-Formyl-5-nitrobenzoic acid (CAS 7464-91-7), with molecular formula C8H5NO5 and molecular weight 195.02 g/mol. IUPAC: 2-formyl-5-nitrobenzoic acid.
Chemical Property Profile of 2-Formyl-5-nitrobenzoic acid
Property Insights of 2-Formyl-5-nitrobenzoic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Formyl-5-nitrobenzoic acid. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Formyl-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-Formyl-5-nitrobenzoic 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 2-Formyl-5-nitrobenzoic acid?
The CAS number of 2-Formyl-5-nitrobenzoic acid is 7464-91-7.
What is the molecular formula of 2-Formyl-5-nitrobenzoic acid?
The molecular formula of 2-Formyl-5-nitrobenzoic acid is C8H5NO5.
What is the molecular weight of 2-Formyl-5-nitrobenzoic acid?
The molecular weight of 2-Formyl-5-nitrobenzoic acid is 195.02 g/mol.
Where can I buy 2-Formyl-5-nitrobenzoic acid?
You can request a quote for 2-Formyl-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Formyl-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Formyl-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.