2-Chloro-1,5-difluoro-3-nitrobenzene
TL;DR: 2-Chloro-1,5-difluoro-3-nitrobenzene (CAS 36556-59-9) is a chemical compound with molecular formula C6H2ClF2NO2 and molecular weight 192.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-1,5-difluoro-3-nitrobenzene
Also Known As: 2-Chloro-3,5-difluoronitrobenzene, 2-Chloro-1,5-difluoro-3-nitrobenzene, 2-Chloro-35-difluoronitrobenzene, 2-chloro-1,5-difluoro-3-nitro-benzene, 2-Chloro-3,5-difluoro-3-nitrobenzene
| Molecular Formula | C6H2ClF2NO2 |
|---|---|
| Molecular Weight | 192.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 192.97421 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 36556-59-9 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])Cl)F)F |
| InChIKey | RUWWVEDLBSUWIX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-1,5-difluoro-3-nitrobenzene (CAS 36556-59-9), with molecular formula C6H2ClF2NO2 and molecular weight 192.97 g/mol. IUPAC: 2-chloro-1,5-difluoro-3-nitrobenzene.
Chemical Property Profile of 2-Chloro-1,5-difluoro-3-nitrobenzene
Property Insights of 2-Chloro-1,5-difluoro-3-nitrobenzene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-1,5-difluoro-3-nitrobenzene. With a topological polar surface area (TPSA) of 45.8 Ų, 2-Chloro-1,5-difluoro-3-nitrobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-1,5-difluoro-3-nitrobenzene 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-Chloro-1,5-difluoro-3-nitrobenzene?
The CAS number of 2-Chloro-1,5-difluoro-3-nitrobenzene is 36556-59-9.
What is the molecular formula of 2-Chloro-1,5-difluoro-3-nitrobenzene?
The molecular formula of 2-Chloro-1,5-difluoro-3-nitrobenzene is C6H2ClF2NO2.
What is the molecular weight of 2-Chloro-1,5-difluoro-3-nitrobenzene?
The molecular weight of 2-Chloro-1,5-difluoro-3-nitrobenzene is 192.97 g/mol.
Where can I buy 2-Chloro-1,5-difluoro-3-nitrobenzene?
You can request a quote for 2-Chloro-1,5-difluoro-3-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-1,5-difluoro-3-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-1,5-difluoro-3-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.