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192810-12-1 | Benzoic acid, 3-bromo-5-hydroxy-, methyl ester
CAS No: 192810-12-1 Catalog No: AG002GD8 MDL No:MFCD10566800
Product Description
Catalog Number:
AG002GD8
Chemical Name:
Benzoic acid, 3-bromo-5-hydroxy-, methyl ester
CAS Number:
192810-12-1
Molecular Formula:
C8H7BrO3
Molecular Weight:
231.0434
MDL Number:
MFCD10566800
IUPAC Name:
methyl 3-bromo-5-hydroxybenzoate
InChI:
InChI=1S/C8H7BrO3/c1-12-8(11)5-2-6(9)4-7(10)3-5/h2-4,10H,1H3
InChI Key:
KRTBWIIGEJIUSA-UHFFFAOYSA-N
SMILES:
COC(=O)c1cc(O)cc(c1)Br
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:
2.5
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