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1195344-56-9 | Benzoic acid, 2-chloro-5-hydroxy-4-methyl-
CAS No: 1195344-56-9 Catalog No: AG000IXC MDL No:
Product Description
Catalog Number:
AG000IXC
Chemical Name:
Benzoic acid, 2-chloro-5-hydroxy-4-methyl-
CAS Number:
1195344-56-9
Molecular Formula:
C8H7ClO3
Molecular Weight:
186.5924
IUPAC Name:
2-chloro-5-hydroxy-4-methylbenzoic acid
InChI:
InChI=1S/C8H7ClO3/c1-4-2-6(9)5(8(11)12)3-7(4)10/h2-3,10H,1H3,(H,11,12)
InChI Key:
IRZZOGNDMVHPOS-UHFFFAOYSA-N
SMILES:
OC(=O)c1cc(O)c(cc1Cl)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:
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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