3-Bromobenzophenone
TL;DR: 3-Bromobenzophenone (CAS 1016-77-9) is a chemical compound with molecular formula C13H9BrO and molecular weight 259.98367 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3-bromophenyl)-phenylmethanone
Also Known As: 3-Bromobenzophenone, (3-bromophenyl)(phenyl)methanone, (3-bromophenyl)-phenylmethanone, m-bromobenzophenone, Methanone, (3-bromophenyl)phenyl-
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H9BrO |
| Molecular Weight | 259.98367 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.98367 Da |
| Heavy Atoms | 15 |
| Complexity | 221.0 |
| SMILES | C1=CC=C(C=C1)C(=O)C2=CC(=CC=C2)Br |
| InChIKey | XNUMUNIJQMSNNN-UHFFFAOYSA-N |
Chemical Property Profile of 3-Bromobenzophenone
Property Insights of 3-Bromobenzophenone
The XLogP value of 4.0 indicates that 3-Bromobenzophenone 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-Bromobenzophenone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromobenzophenone has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-Bromobenzophenone?
The CAS number of 3-Bromobenzophenone is 1016-77-9.
What is the molecular formula of 3-Bromobenzophenone?
The molecular formula of 3-Bromobenzophenone is C13H9BrO.
What is the molecular weight of 3-Bromobenzophenone?
The molecular weight of 3-Bromobenzophenone is 259.98367 g/mol.
Where can I buy 3-Bromobenzophenone?
You can request a quote for 3-Bromobenzophenone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromobenzophenone?
Yes, CoreyChem provides custom synthesis services for 3-Bromobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.