邻(氯乙酰基)苯甲腈
TL;DR: 邻(氯乙酰基)苯甲腈 (CAS 1008-15-7) is a chemical compound with molecular formula C9H6ClNO and molecular weight 179.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻(氯乙酰基)苯甲腈
2-(2-chloroacetyl)benzonitrile
Also Known As: 2-(2-chloroacetyl)benzonitrile, USAF uctl-668, 2-(chloroacetyl)benzonitrile, alpha-Chloro-o-cyanoacetophenone, o-(Chloroacetyl)benzonitrile
| Molecular Formula | C9H6ClNO |
|---|---|
| Molecular Weight | 179.01 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 40.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 179.0138 |
| Heavy Atoms | 12 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 1008-15-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C#N)C(=O)CCl |
| InChIKey | QLWBWNBFUCQEJM-UHFFFAOYSA-N |
Product Overview
邻(氯乙酰基)苯甲腈 (CAS 1008-15-7), with molecular formula C9H6ClNO and molecular weight 179.01 g/mol. IUPAC: 2-(2-chloroacetyl)benzonitrile.
Chemical Property Profile of 邻(氯乙酰基)苯甲腈
Property Insights of 邻(氯乙酰基)苯甲腈
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻(氯乙酰基)苯甲腈. With a topological polar surface area (TPSA) of 40.9 Ų, 邻(氯乙酰基)苯甲腈 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻(氯乙酰基)苯甲腈 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 邻(氯乙酰基)苯甲腈?
The CAS number of 邻(氯乙酰基)苯甲腈 is 1008-15-7.
What is the molecular formula of 邻(氯乙酰基)苯甲腈?
The molecular formula of 邻(氯乙酰基)苯甲腈 is C9H6ClNO.
What is the molecular weight of 邻(氯乙酰基)苯甲腈?
The molecular weight of 邻(氯乙酰基)苯甲腈 is 179.01 g/mol.
Where can I buy 邻(氯乙酰基)苯甲腈?
You can request a quote for 邻(氯乙酰基)苯甲腈 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻(氯乙酰基)苯甲腈?
Yes, KEHONG BIO provides custom synthesis services for 邻(氯乙酰基)苯甲腈 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.