2-Chloro-1-nitro-propane
TL;DR: 2-Chloro-1-nitro-propane (CAS 503-76-4) is a chemical compound with molecular formula C3H6ClNO2 and molecular weight 123.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1-nitropropane
Also Known As: 2-chloro-1-nitropropane, 2-Chloro-1-nitro-propane, Niagara 3514, Propane, 2-chloro-1-nitro-, 2-Chlor-1-nitro-propan
| Molecular Formula | C3H6ClNO2 |
|---|---|
| Molecular Weight | 123.01 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 123.008705 |
| Heavy Atoms | 7 |
| Complexity | 69.0 |
Chemical Identifiers
| CAS Number | 503-76-4 |
|---|---|
| SMILES | CC(C[N+](=O)[O-])Cl |
| InChIKey | HRYRVCUBGVCXKL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1-nitro-propane (CAS 503-76-4), with molecular formula C3H6ClNO2 and molecular weight 123.01 g/mol. IUPAC: 2-chloro-1-nitropropane.
Chemical Property Profile of 2-Chloro-1-nitro-propane
Property Insights of 2-Chloro-1-nitro-propane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1-nitro-propane. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Chloro-1-nitro-propane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1-nitro-propane 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 2-Chloro-1-nitro-propane?
The CAS number of 2-Chloro-1-nitro-propane is 503-76-4.
What is the molecular formula of 2-Chloro-1-nitro-propane?
The molecular formula of 2-Chloro-1-nitro-propane is C3H6ClNO2.
What is the molecular weight of 2-Chloro-1-nitro-propane?
The molecular weight of 2-Chloro-1-nitro-propane is 123.01 g/mol.
Where can I buy 2-Chloro-1-nitro-propane?
You can request a quote for 2-Chloro-1-nitro-propane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1-nitro-propane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1-nitro-propane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.