2-Bromo-4-hydroxybenzoic Acid - CAS 28547-28-6
Catalog: |
BB019877 |
Product Name: |
2-Bromo-4-hydroxybenzoic Acid |
CAS: |
28547-28-6 |
Synonyms: |
2-bromo-4-hydroxybenzoic acid; 2-bromo-4-hydroxybenzoic acid |
IUPAC Name: | 2-bromo-4-hydroxybenzoic acid |
Description: | 2-Bromo-4-hydroxybenzoic Acid (CAS# 28547-28-6) is a bromo derivative of hydroxybenzoic acid, a useful building block. 2-Bromo-4-hydroxybenzoic acid has been used in the preparation of urolithins which interfere with the CYP1B1 protein which is linked with prostate cancer. |
Molecular Weight: | 217.02 |
Molecular Formula: | C7H5BrO3 |
Canonical SMILES: | C1=CC(=C(C=C1O)Br)C(=O)O |
InChI: | InChI=1S/C7H5BrO3/c8-6-3-4(9)1-2-5(6)7(10)11/h1-3,9H,(H,10,11) |
InChI Key: | POGXJMWDTFROTM-UHFFFAOYSA-N |
LogP: | 1.85290 |
Publication Number | Title | Priority Date |
CN-109293586-A | A method of halogen benzoic acid synthesizes quinazolinones under microwave condition in ammonium hydroxide | 20181122 |
CN-107674847-A | A kind of halogen benzoic acid degradation bacteria strains and its microbial inoculum and the application of production | 20170822 |
CN-107383024-A | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
CN-107383024-B | The class compound of fused tricyclic containing imidazoles and its application | 20160912 |
WO-2018045966-A1 | Imidazole-containing fused tricyclic compounds and applications thereof | 20160912 |
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 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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