2-氯-4-氟苯甲醛
TL;DR: 2-氯-4-氟苯甲醛 (CAS 84197-81-9) is a chemical compound with molecular formula C7H4ClFO and molecular weight 157.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-4-氟苯甲醛
2-chloro-4-fluorobenzaldehyde
Also Known As: 2-Chloro-4-fluorobenzaldehyde, 4-fluoro-2-chlorobenzaldehyde, 2-chloro-4-fluoro-benzaldehyde, Benzaldehyde, 2-chloro-4-fluoro-, 2-chloro-4-fluorobezaldehyde
| Molecular Formula | C7H4ClFO |
|---|---|
| Molecular Weight | 157.99 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.99347 |
| Heavy Atoms | 10 |
| Complexity | 129.0 |
Chemical Identifiers
| CAS Number | 84197-81-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1F)Cl)C=O |
| InChIKey | KMQWNQKESAHDKD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-4-氟苯甲醛 (CAS 84197-81-9), with molecular formula C7H4ClFO and molecular weight 157.99 g/mol. IUPAC: 2-chloro-4-fluorobenzaldehyde.
Chemical Property Profile of 2-氯-4-氟苯甲醛
Property Insights of 2-氯-4-氟苯甲醛
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-4-氟苯甲醛. With a topological polar surface area (TPSA) of 17.1 Ų, 2-氯-4-氟苯甲醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-4-氟苯甲醛 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 2-氯-4-氟苯甲醛?
The CAS number of 2-氯-4-氟苯甲醛 is 84197-81-9.
What is the molecular formula of 2-氯-4-氟苯甲醛?
The molecular formula of 2-氯-4-氟苯甲醛 is C7H4ClFO.
What is the molecular weight of 2-氯-4-氟苯甲醛?
The molecular weight of 2-氯-4-氟苯甲醛 is 157.99 g/mol.
Where can I buy 2-氯-4-氟苯甲醛?
You can request a quote for 2-氯-4-氟苯甲醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-4-氟苯甲醛?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-4-氟苯甲醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.