3-Bromo-2-methoxybenzoic acid - CAS 101084-39-3
Catalog: |
BB000434 |
Product Name: |
3-Bromo-2-methoxybenzoic acid |
CAS: |
101084-39-3 |
Synonyms: |
3-bromo-2-methoxybenzoic acid |
IUPAC Name: | 3-bromo-2-methoxybenzoic acid |
Description: | 3-Bromo-2-methoxybenzoic acid (CAS# 101084-39-3) is a reactant that has been used in the preparation of biphenylic carboxamides as potent and selective CB2 receptor ligands. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C=CC=C1Br)C(=O)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-7-5(8(10)11)3-2-4-6(7)9/h2-4H,1H3,(H,10,11) |
InChI Key: | PIBPHOFXQUUPTM-UHFFFAOYSA-N |
Boiling Point: | 327.6 ℃ at 760 mmHg |
Melting Point: | 121-123 ℃ |
Purity: | 98 % |
Density: | 1.625 g/cm3 |
Appearance: | White to tan solid |
Storage: | Keep Cold |
MDL: | MFCD00045840 |
LogP: | 2.15590 |
GHS Hazard Statement: | H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P264, P270, P301+P310, P321, P330, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-111518147-A | Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor | 20200429 |
WO-2021204626-A1 | Aryl and heteroaryl-carboxamide substituted heteroaryl compounds as tyk2 inhibitors | 20200406 |
WO-2020092947-A1 | Compounds and methods of inhibiting bacterial chaperonin systems | 20181102 |
AU-2018246341-A1 | Compounds useful as inhibitors of ALCAT 1 | 20170331 |
CA-3058533-A1 | Compounds useful as inhibitors of alcat 1 | 20170331 |
Complexity: | 172 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 229.95786 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 229.95786 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 46.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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