4-Bromo-2-methoxybenzoic acid - CAS 72135-36-5
Catalog: |
BB034546 |
Product Name: |
4-Bromo-2-methoxybenzoic acid |
CAS: |
72135-36-5 |
Synonyms: |
4-bromo-2-methoxybenzoic acid |
IUPAC Name: | 4-bromo-2-methoxybenzoic acid |
Description: | 4-Bromo-2-methoxybenzoic acid (CAS# 72135-36-5) is a useful research chemical. |
Molecular Weight: | 231.04 |
Molecular Formula: | C8H7BrO3 |
Canonical SMILES: | COC1=C(C=CC(=C1)Br)C(=O)O |
InChI: | InChI=1S/C8H7BrO3/c1-12-7-4-5(9)2-3-6(7)8(10)11/h2-4H,1H3,(H,10,11) |
InChI Key: | CEZLPETXJOGAKX-UHFFFAOYSA-N |
Boiling Point: | 318.077 ℃ at 760 mmHg |
Purity: | 98 % |
Density: | 1.625 g/cm3 |
Appearance: | Plates |
Storage: | Room temperature. |
MDL: | MFCD07780665 |
LogP: | 2.15590 |
GHS Hazard Statement: | H301 (97.56%): 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-113200938-A | Benzisothiazole hypoxia inducible factor 2 agonist compound or pharmaceutically acceptable salt thereof, preparation method and application | 20210520 |
CN-111518147-A | Benzoylanilide compound and application thereof in preparing sensitizer of pseudomonas aeruginosa inhibitor | 20200429 |
CN-112409223-A | Amide compounds and medical application thereof as STING inhibitor | 20191012 |
WO-2021068950-A1 | Amide compound and medical use thereof as sting inhibitor | 20191012 |
WO-2021055295-A1 | Brd9 bifunctional degraders and their methods of use | 20190916 |
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 |
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