Chloronitromethane
TL;DR: Chloronitromethane (CAS 1794-84-9) is a chemical compound with molecular formula CH2ClNO2 and molecular weight 94.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
chloro(nitro)methane
Also Known As: CHLORONITROMETHANE, chloro(nitro)methane, nitrochloromethane, Chloro-nitromethane, Methane, chloronitro-
| Molecular Formula | CH2ClNO2 |
|---|---|
| Molecular Weight | 94.98 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 94.97741 |
| Heavy Atoms | 5 |
| Complexity | 39.0 |
Chemical Identifiers
| CAS Number | 1794-84-9 |
|---|---|
| SMILES | C([N+](=O)[O-])Cl |
| InChIKey | CGKPGVZMSKVVOF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chloronitromethane (CAS 1794-84-9), with molecular formula CH2ClNO2 and molecular weight 94.98 g/mol. IUPAC: chloro(nitro)methane.
Chemical Property Profile of Chloronitromethane
Property Insights of Chloronitromethane
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chloronitromethane. With a topological polar surface area (TPSA) of 45.8 Ų, Chloronitromethane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chloronitromethane has 0 hydrogen bond donor(s) and 2 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 Chloronitromethane?
The CAS number of Chloronitromethane is 1794-84-9.
What is the molecular formula of Chloronitromethane?
The molecular formula of Chloronitromethane is CH2ClNO2.
What is the molecular weight of Chloronitromethane?
The molecular weight of Chloronitromethane is 94.98 g/mol.
Where can I buy Chloronitromethane?
You can request a quote for Chloronitromethane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chloronitromethane?
Yes, KEHONG BIO provides custom synthesis services for Chloronitromethane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.