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140472-69-1 | Benzoic acid, 3-bromo-5-hydroxy-
CAS No: 140472-69-1 Catalog No: AG001CI9 MDL No:MFCD06797980
Product Description
Catalog Number:
AG001CI9
Chemical Name:
Benzoic acid, 3-bromo-5-hydroxy-
CAS Number:
140472-69-1
Molecular Formula:
C7H5BrO3
Molecular Weight:
217.0168
MDL Number:
MFCD06797980
IUPAC Name:
3-bromo-5-hydroxybenzoic acid
InChI:
InChI=1S/C7H5BrO3/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3,9H,(H,10,11)
InChI Key:
WGIBEMRBLBGETQ-UHFFFAOYSA-N
SMILES:
Oc1cc(Br)cc(c1)C(=O)O
Properties
Complexity:
160
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.942g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
217.018g/mol
Monoisotopic Mass:
215.942g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
Literature
| Title | Journal |
|---|---|
| 3,5-dimethylisoxazoles act as acetyl-lysine-mimetic bromodomain ligands. | Journal of medicinal chemistry 20111013 |
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