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Home > Bromides > 1442643-22-2
1442643-22-2 | Benzoic acid, 5-bromo-3-hydroxy-2-methyl-
CAS No: 1442643-22-2 Catalog No: AG001J77 MDL No:
Product Description
Catalog Number:
AG001J77
Chemical Name:
Benzoic acid, 5-bromo-3-hydroxy-2-methyl-
CAS Number:
1442643-22-2
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
IUPAC Name:
5-bromo-3-hydroxy-2-methylbenzoic acid
InChI:
InChI=1S/C8H7BrO3/c1-4-6(8(11)12)2-5(9)3-7(4)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
YYQFFQBAZQFKQK-UHFFFAOYSA-N
SMILES:
Brc1cc(O)c(c(c1)C(=O)O)C
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.958g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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