3-溴-4-氟苯甲酰氯
TL;DR: 3-溴-4-氟苯甲酰氯 (CAS 672-75-3) is a chemical compound with molecular formula C7H3BrClFO and molecular weight 235.90 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-溴-4-氟苯甲酰氯
3-bromo-4-fluorobenzoyl chloride
Also Known As: 3-Bromo-4-fluorobenzoyl chloride, 3-bromo-4-fluorobenzoylchloride, Benzoyl chloride,3-bromo-4-fluoro-, 3-Bromo-4-fluoro-benzoyl chloride, diethyl2-(4-cyanophenyl)malonate
| Molecular Formula | C7H3BrClFO |
|---|---|
| Molecular Weight | 235.90 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 235.90398 |
| Heavy Atoms | 11 |
| Complexity | 165.0 |
Chemical Identifiers
| CAS Number | 672-75-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)Cl)Br)F |
| InChIKey | HPHZOCIBMCWXCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-溴-4-氟苯甲酰氯 (CAS 672-75-3), with molecular formula C7H3BrClFO and molecular weight 235.90 g/mol. IUPAC: 3-bromo-4-fluorobenzoyl chloride.
Chemical Property Profile of 3-溴-4-氟苯甲酰氯
Property Insights of 3-溴-4-氟苯甲酰氯
The XLogP value of 3.2 indicates that 3-溴-4-氟苯甲酰氯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 3-溴-4-氟苯甲酰氯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-溴-4-氟苯甲酰氯 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-溴-4-氟苯甲酰氯?
The CAS number of 3-溴-4-氟苯甲酰氯 is 672-75-3.
What is the molecular formula of 3-溴-4-氟苯甲酰氯?
The molecular formula of 3-溴-4-氟苯甲酰氯 is C7H3BrClFO.
What is the molecular weight of 3-溴-4-氟苯甲酰氯?
The molecular weight of 3-溴-4-氟苯甲酰氯 is 235.90 g/mol.
Where can I buy 3-溴-4-氟苯甲酰氯?
You can request a quote for 3-溴-4-氟苯甲酰氯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-溴-4-氟苯甲酰氯?
Yes, KEHONG BIO provides custom synthesis services for 3-溴-4-氟苯甲酰氯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.