3-(Bromomethyl)phenoxyacetic acid
TL;DR: 3-(Bromomethyl)phenoxyacetic acid (CAS 136645-25-5) is a chemical compound with molecular formula C9H9BrO3 and molecular weight 243.97351 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[3-(bromomethyl)phenoxy]acetic acid
Also Known As: 3-(BROMOMETHYL)PHENOXYACETIC ACID, 2-[3-(bromomethyl)phenoxy]acetic Acid, 3-bromomethylphenoxyacetic acid, Acetic acid, 2-[3-(bromomethyl)phenoxy]-, 2-(3-(Bromomethyl)phenoxy)acetic acid
Technical Specifications
| Molecular Formula | C9H9BrO3 |
| Molecular Weight | 243.97351 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.97351 Da |
| Heavy Atoms | 13 |
| Complexity | 172.0 |
| SMILES | C1=CC(=CC(=C1)OCC(=O)O)CBr |
| InChIKey | MSTODKGDFXWAIO-UHFFFAOYSA-N |
Chemical Property Profile of 3-(Bromomethyl)phenoxyacetic acid
Property Insights of 3-(Bromomethyl)phenoxyacetic acid
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Bromomethyl)phenoxyacetic acid. With a topological polar surface area (TPSA) of 46.5 Ų, 3-(Bromomethyl)phenoxyacetic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Bromomethyl)phenoxyacetic acid 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 3-(Bromomethyl)phenoxyacetic acid?
The CAS number of 3-(Bromomethyl)phenoxyacetic acid is 136645-25-5.
What is the molecular formula of 3-(Bromomethyl)phenoxyacetic acid?
The molecular formula of 3-(Bromomethyl)phenoxyacetic acid is C9H9BrO3.
What is the molecular weight of 3-(Bromomethyl)phenoxyacetic acid?
The molecular weight of 3-(Bromomethyl)phenoxyacetic acid is 243.97351 g/mol.
Where can I buy 3-(Bromomethyl)phenoxyacetic acid?
You can request a quote for 3-(Bromomethyl)phenoxyacetic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(Bromomethyl)phenoxyacetic acid?
Yes, CoreyChem provides custom synthesis services for 3-(Bromomethyl)phenoxyacetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.