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142167-38-2 | Benzoic acid, 5-bromo-4-chloro-2-hydroxy-
CAS No: 142167-38-2 Catalog No: AG001HVF MDL No:MFCD09475899
Product Description
Catalog Number:
AG001HVF
Chemical Name:
Benzoic acid, 5-bromo-4-chloro-2-hydroxy-
CAS Number:
142167-38-2
Molecular Formula:
C7H4BrClO3
Molecular Weight:
251.4619
MDL Number:
MFCD09475899
IUPAC Name:
5-bromo-4-chloro-2-hydroxybenzoic acid
InChI:
InChI=1S/C7H4BrClO3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
InChI Key:
XUKLAPBPFXGIOW-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(Br)c(cc1O)Cl
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.903g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.46g/mol
Monoisotopic Mass:
249.903g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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