Benzoic acid, 2-(3-chlorobenzoyl)-
TL;DR: Benzoic acid, 2-(3-chlorobenzoyl)- (CAS 13450-37-8) is a chemical compound with molecular formula C14H9ClO3 and molecular weight 260.02402 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(3-chlorobenzoyl)benzoic acid
Also Known As: 2-(3-Chlorobenzoyl)benzoic acid, Benzoic acid, 2-(3-chlorobenzoyl)-, 2-(3-Chlorobenzoyl)benzoicacid, 2-(3-Chloro-benzoyl)-benzoic acid, 4-chloro-2-benzoyl benzoic acid
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C14H9ClO3 |
| Molecular Weight | 260.02402 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 260.02402 Da |
| Heavy Atoms | 18 |
| Complexity | 329.0 |
| SMILES | C1=CC=C(C(=C1)C(=O)C2=CC(=CC=C2)Cl)C(=O)O |
| InChIKey | FSMXJLAATHSRCB-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 2-(3-chlorobenzoyl)-
Property Insights of Benzoic acid, 2-(3-chlorobenzoyl)-
The XLogP value of 3.1 indicates that Benzoic acid, 2-(3-chlorobenzoyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, Benzoic acid, 2-(3-chlorobenzoyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(3-chlorobenzoyl)- has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-(3-chlorobenzoyl)-?
The CAS number of Benzoic acid, 2-(3-chlorobenzoyl)- is 13450-37-8.
What is the molecular formula of Benzoic acid, 2-(3-chlorobenzoyl)-?
The molecular formula of Benzoic acid, 2-(3-chlorobenzoyl)- is C14H9ClO3.
What is the molecular weight of Benzoic acid, 2-(3-chlorobenzoyl)-?
The molecular weight of Benzoic acid, 2-(3-chlorobenzoyl)- is 260.02402 g/mol.
Where can I buy Benzoic acid, 2-(3-chlorobenzoyl)-?
You can request a quote for Benzoic acid, 2-(3-chlorobenzoyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 2-(3-chlorobenzoyl)-?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 2-(3-chlorobenzoyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.