4-Bromo-2-hydroxybenzoic acid - CAS 1666-28-0
Catalog: |
BB012299 |
Product Name: |
4-Bromo-2-hydroxybenzoic acid |
CAS: |
1666-28-0 |
Synonyms: |
4-bromo-2-hydroxybenzoic acid |
IUPAC Name: | 4-bromo-2-hydroxybenzoic acid |
Description: | 4-Bromo-2-hydroxybenzoic acid (CAS# 1666-28-0) is a useful research chemical. |
Molecular Weight: | 217.02 |
Molecular Formula: | C7H5BrO3 |
Canonical SMILES: | C1=CC(=C(C=C1Br)O)C(=O)O |
InChI: | InChI=1S/C7H5BrO3/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3,9H,(H,10,11) |
InChI Key: | FYAKLZKQJDBBKW-UHFFFAOYSA-N |
Boiling Point: | 330.2 °C |
Melting Point: | 164-165 °C |
Purity: | 98 % |
Density: | 1.861 g/cm3 |
MDL: | MFCD06797970 |
LogP: | 1.85290 |
GHS Hazard Statement: | H301 (61.54%): Toxic if swallowed [Danger Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
WO-2021110968-A1 | Macrocylces comprising a 4-amido-2,4-pentadienoate moiety for the treatment of hypoxic cancers | 20191204 |
KR-20190126744-A | An organic electronic element using compound for organic electronic element, and an electronic device thereof | 20191030 |
KR-102180086-B1 | An organic electronic element using compound for organic electronic element, and an electronic device thereof | 20191030 |
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 |
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: | 3.2 |
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