3-Fluoro-2-formylbenzonitrile
TL;DR: 3-Fluoro-2-formylbenzonitrile (CAS 887266-95-7) is a chemical compound with molecular formula C8H4FNO and molecular weight 149.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-fluoro-2-formylbenzonitrile
Also Known As: 3-fluoro-2-formylbenzonitrile, 2-Cyano-6-fluorobenzaldehyde, 3-fluoro-2-formyl-benzonitrile, 2-Fluoro-6-cyanobenzaldehyde, 2-Formyl-3-fluorobenzonitrile
| Molecular Formula | C8H4FNO |
|---|---|
| Molecular Weight | 149.03 g/mol |
| LogP | 1.50988 |
| Topological Polar Surface Area | 40.86 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 149.0277 |
| Heavy Atoms | 11 |
| Complexity | 327.35422 |
Chemical Identifiers
| CAS Number | 887266-95-7 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)F)C=O)C#N |
Product Overview
3-Fluoro-2-formylbenzonitrile (CAS 887266-95-7), with molecular formula C8H4FNO and molecular weight 149.03 g/mol. IUPAC: 3-fluoro-2-formylbenzonitrile.
Chemical Property Profile of 3-Fluoro-2-formylbenzonitrile
Property Insights of 3-Fluoro-2-formylbenzonitrile
The XLogP value of 1.50988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Fluoro-2-formylbenzonitrile. With a topological polar surface area (TPSA) of 40.86 Ų, 3-Fluoro-2-formylbenzonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluoro-2-formylbenzonitrile 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 3-Fluoro-2-formylbenzonitrile?
The CAS number of 3-Fluoro-2-formylbenzonitrile is 887266-95-7.
What is the molecular formula of 3-Fluoro-2-formylbenzonitrile?
The molecular formula of 3-Fluoro-2-formylbenzonitrile is C8H4FNO.
What is the molecular weight of 3-Fluoro-2-formylbenzonitrile?
The molecular weight of 3-Fluoro-2-formylbenzonitrile is 149.03 g/mol.
Where can I buy 3-Fluoro-2-formylbenzonitrile?
You can request a quote for 3-Fluoro-2-formylbenzonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Fluoro-2-formylbenzonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluoro-2-formylbenzonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.