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115382-34-8 | Benzoic acid, 2-acetyl-5-chloro-
CAS No: 115382-34-8 Catalog No: AG000GNU MDL No:
Product Description
Catalog Number:
AG000GNU
Chemical Name:
Benzoic acid, 2-acetyl-5-chloro-
CAS Number:
115382-34-8
Molecular Formula:
C9H7ClO3
Molecular Weight:
198.6031
IUPAC Name:
2-acetyl-5-chlorobenzoic acid
InChI:
InChI=1S/C9H7ClO3/c1-5(11)7-3-2-6(10)4-8(7)9(12)13/h2-4H,1H3,(H,12,13)
InChI Key:
ABRNBYGTHSFKKS-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)O)C(=O)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
198.008g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
198.602g/mol
Monoisotopic Mass:
198.008g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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