4-Bromo-3-hydroxybenzoic Acid - CAS 14348-38-0
Catalog: |
BB009609 |
Product Name: |
4-Bromo-3-hydroxybenzoic Acid |
CAS: |
14348-38-0 |
Synonyms: |
4-bromo-3-hydroxybenzoic acid; 4-bromo-3-hydroxybenzoic acid |
IUPAC Name: | 4-bromo-3-hydroxybenzoic acid |
Description: | 4-Bromo-3-hydroxybenzoic acid is a potent inhibitor of the enzyme histidine decarboxylase with resultant inhibition of histamine formation in mammals. |
Molecular Weight: | 217.02 |
Molecular Formula: | C7H5BrO3 |
Canonical SMILES: | C1=CC(=C(C=C1C(=O)O)O)Br |
InChI: | InChI=1S/C7H5BrO3/c8-5-2-1-4(7(10)11)3-6(5)9/h1-3,9H,(H,10,11) |
InChI Key: | PAJSESFUWIYFNF-UHFFFAOYSA-N |
Boiling Point: | 338.6 ℃ at 760 mmHg |
Purity: | > 98 % |
Density: | 1.861 g/cm3 |
Appearance: | Solid powder |
MDL: | MFCD08056371 |
LogP: | 1.85290 |
GHS Hazard Statement: | H302 (33.33%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
WO-2021086879-A1 | Compounds and methods of use | 20191028 |
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 |
EP-3725777-A1 | Benzo- and pyrido-pyrazoles as protein kinase inhibitors | 20190417 |
WO-2020212530-A1 | Benzo- and pyrido-pyrazoles as protein kinase inhibitors | 20190417 |
Complexity: | 160 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 215.94221 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 215.94221 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 57.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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