(2-nitrophenyl)methyl Formate
TL;DR: (2-nitrophenyl)methyl Formate (CAS 65962-16-5) is a chemical compound with molecular formula C8H7NO4 and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-nitrophenyl)methyl formate
Also Known As: (2-nitrophenyl)methyl Formate, Formic acid 2-nitrobenzyl ester, Benzenemethanol, 2-nitro-, 1-formate, J1.576.587I
| Molecular Formula | C8H7NO4 |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.2678 |
| Topological Polar Surface Area | 69.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 181.0375 |
| Heavy Atoms | 13 |
| Complexity | 323.675 |
Chemical Identifiers
| CAS Number | 65962-16-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COC=O)[N+](=O)[O-] |
Product Overview
(2-nitrophenyl)methyl Formate (CAS 65962-16-5), with molecular formula C8H7NO4 and molecular weight 181.04 g/mol. IUPAC: (2-nitrophenyl)methyl formate.
Chemical Property Profile of (2-nitrophenyl)methyl Formate
Property Insights of (2-nitrophenyl)methyl Formate
The XLogP value of 1.2678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2-nitrophenyl)methyl Formate. The TPSA of 69.44 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-nitrophenyl)methyl Formate. Following Lipinski's Rule of Five, (2-nitrophenyl)methyl Formate has 0 hydrogen bond donor(s) and 4 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-nitrophenyl)methyl Formate?
The CAS number of (2-nitrophenyl)methyl Formate is 65962-16-5.
What is the molecular formula of (2-nitrophenyl)methyl Formate?
The molecular formula of (2-nitrophenyl)methyl Formate is C8H7NO4.
What is the molecular weight of (2-nitrophenyl)methyl Formate?
The molecular weight of (2-nitrophenyl)methyl Formate is 181.04 g/mol.
Where can I buy (2-nitrophenyl)methyl Formate?
You can request a quote for (2-nitrophenyl)methyl Formate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-nitrophenyl)methyl Formate?
Yes, KEHONG BIO provides custom synthesis services for (2-nitrophenyl)methyl Formate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.