1-Chloro-3-isocyanobenzene
TL;DR: 1-Chloro-3-isocyanobenzene (CAS 32686-54-7) is a chemical compound with molecular formula C7H4ClN and molecular weight 137.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-isocyanobenzene
Also Known As: 1-chloro-3-isocyanobenzene, 3-Chlorophenyl isocyanide, 1-chloro-3-isocyano-benzene, 3-Chlorophenylisocyanide, 3-chloro-phenyl isocyanide
| Molecular Formula | C7H4ClN |
|---|---|
| Molecular Weight | 137.00 g/mol |
| LogP | 2.89079 |
| Topological Polar Surface Area | 4.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 137.00322 |
| Heavy Atoms | 9 |
| Complexity | 249.33821 |
Chemical Identifiers
| CAS Number | 32686-54-7 |
|---|---|
| SMILES | [C-]#[N+]C1=CC(=CC=C1)Cl |
Product Overview
1-Chloro-3-isocyanobenzene (CAS 32686-54-7), with molecular formula C7H4ClN and molecular weight 137.00 g/mol. IUPAC: 1-chloro-3-isocyanobenzene.
Chemical Property Profile of 1-Chloro-3-isocyanobenzene
Property Insights of 1-Chloro-3-isocyanobenzene
The XLogP value of 2.89079 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-isocyanobenzene. With a topological polar surface area (TPSA) of 4.36 Ų, 1-Chloro-3-isocyanobenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-3-isocyanobenzene has 0 hydrogen bond donor(s) and 0 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 1-Chloro-3-isocyanobenzene?
The CAS number of 1-Chloro-3-isocyanobenzene is 32686-54-7.
What is the molecular formula of 1-Chloro-3-isocyanobenzene?
The molecular formula of 1-Chloro-3-isocyanobenzene is C7H4ClN.
What is the molecular weight of 1-Chloro-3-isocyanobenzene?
The molecular weight of 1-Chloro-3-isocyanobenzene is 137.00 g/mol.
Where can I buy 1-Chloro-3-isocyanobenzene?
You can request a quote for 1-Chloro-3-isocyanobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-isocyanobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-isocyanobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.