4-Nitrophenyl chloroformate
TL;DR: 4-Nitrophenyl chloroformate (CAS 7693-46-1) is a chemical compound with molecular formula C7H4ClNO4 and molecular weight 200.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) carbonochloridate
Also Known As: 4-Nitrophenyl chloroformate, 4-Nitrophenyl carbonochloridate, p-Nitrophenyl chloroformate, Chloroformic acid 4-nitrophenyl ester, (4-nitrophenyl) carbonochloridate
| Molecular Formula | C7H4ClNO4 |
|---|---|
| Molecular Weight | 200.98 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 200.98288 |
| Heavy Atoms | 13 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 7693-46-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OC(=O)Cl |
| InChIKey | NXLNNXIXOYSCMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl chloroformate (CAS 7693-46-1), with molecular formula C7H4ClNO4 and molecular weight 200.98 g/mol. IUPAC: (4-nitrophenyl) carbonochloridate.
Chemical Property Profile of 4-Nitrophenyl chloroformate
Property Insights of 4-Nitrophenyl chloroformate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl chloroformate. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl chloroformate. Following Lipinski's Rule of Five, 4-Nitrophenyl chloroformate 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 4-Nitrophenyl chloroformate?
The CAS number of 4-Nitrophenyl chloroformate is 7693-46-1.
What is the molecular formula of 4-Nitrophenyl chloroformate?
The molecular formula of 4-Nitrophenyl chloroformate is C7H4ClNO4.
What is the molecular weight of 4-Nitrophenyl chloroformate?
The molecular weight of 4-Nitrophenyl chloroformate is 200.98 g/mol.
Where can I buy 4-Nitrophenyl chloroformate?
You can request a quote for 4-Nitrophenyl chloroformate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl chloroformate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl chloroformate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.