3-Bromo-2-methoxybenzoate
TL;DR: 3-Bromo-2-methoxybenzoate (CAS 101084-39-3) is a chemical compound with molecular formula C8H6BrO3- and molecular weight 228.95003 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-bromo-2-methoxybenzoate
Also Known As: 3-bromo-2-methoxybenzoate, 3-bromo-2-methoxybenzoicacid, 3-bromo-2-methoxybenzoic acid
Technical Specifications
| Molecular Formula | C8H6BrO3- |
| Molecular Weight | 228.95003 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 49.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 228.95003 Da |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
| SMILES | COC1=C(C=CC=C1Br)C(=O)[O-] |
| InChIKey | PIBPHOFXQUUPTM-UHFFFAOYSA-M |
Product Description
Applications: 3-Bromo-2-methoxybenzoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
3-Bromo-2-methoxybenzoate is a fine chemical identified by CAS number 101084-39-3 and the molecular formula C8H6BrO3- and a molecular weight of 228.95 g/mol. Synonyms include 3-bromo-2-methoxybenzoate and 3-bromo-2-methoxybenzoicacid.
Custom synthesis (mg to ton scale), HPLC/NMR/MS analytical support, and complete COA/MSDS documentation are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 3-Bromo-2-methoxybenzoate
Property Insights of 3-Bromo-2-methoxybenzoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Bromo-2-methoxybenzoate. With a topological polar surface area (TPSA) of 49.4 Ų, 3-Bromo-2-methoxybenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Bromo-2-methoxybenzoate has 0 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-Bromo-2-methoxybenzoate?
The CAS number of 3-Bromo-2-methoxybenzoate is 101084-39-3.
What is the molecular formula of 3-Bromo-2-methoxybenzoate?
The molecular formula of 3-Bromo-2-methoxybenzoate is C8H6BrO3-.
What is the molecular weight of 3-Bromo-2-methoxybenzoate?
The molecular weight of 3-Bromo-2-methoxybenzoate is 228.95003 g/mol.
What are the applications of 3-Bromo-2-methoxybenzoate?
3-Bromo-2-methoxybenzoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC,...
Where can I buy 3-Bromo-2-methoxybenzoate?
You can request a quote for 3-Bromo-2-methoxybenzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-Bromo-2-methoxybenzoate?
Yes, CoreyChem provides custom synthesis services for 3-Bromo-2-methoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.