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101085-03-4 | Benzoic acid, 2-bromo-4-hydroxy-, methyl ester
CAS No: 101085-03-4 Catalog No: AG0003QB MDL No:
Product Description
Catalog Number:
AG0003QB
Chemical Name:
Benzoic acid, 2-bromo-4-hydroxy-, methyl ester
CAS Number:
101085-03-4
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
IUPAC Name:
methyl 2-bromo-4-hydroxybenzoate
InChI:
InChI=1S/C8H7BrO3/c1-12-8(11)6-3-2-5(10)4-7(6)9/h2-4,10H,1H3
InChI Key:
FDMYWFGQALCJRU-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(cc1Br)O
Properties
Complexity:
172
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:
1
Isotope Atom Count:
0
Molecular Weight:
231.045g/mol
Monoisotopic Mass:
229.958g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
46.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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