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147215-41-6 | Benzoic acid, 4-chloro-3-hydroxy-2-methyl-
CAS No: 147215-41-6 Catalog No: AG001EPF MDL No:
Product Description
Catalog Number:
AG001EPF
Chemical Name:
Benzoic acid, 4-chloro-3-hydroxy-2-methyl-
CAS Number:
147215-41-6
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
IUPAC Name:
4-chloro-3-hydroxy-2-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO3/c1-4-5(8(11)12)2-3-6(9)7(4)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
WUQHCSYVKLUTNX-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(c(c1C)O)Cl
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.008g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
186.591g/mol
Monoisotopic Mass:
186.008g/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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