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14123-60-5 | 2-Propanone, 1-(3-chlorophenyl)-
CAS No: 14123-60-5 Catalog No: AG001G3O MDL No:MFCD00082872
Product Description
Catalog Number:
AG001G3O
Chemical Name:
2-Propanone, 1-(3-chlorophenyl)-
CAS Number:
14123-60-5
Molecular Formula:
C9H9ClO
Molecular Weight:
168.6202
MDL Number:
MFCD00082872
IUPAC Name:
1-(3-chlorophenyl)propan-2-one
InChI:
InChI=1S/C9H9ClO/c1-7(11)5-8-3-2-4-9(10)6-8/h2-4,6H,5H2,1H3
InChI Key:
VCNYPJMEQHTAHS-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1cccc(c1)Cl
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.034g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.62g/mol
Monoisotopic Mass:
168.034g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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