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1017478-92-0 | 2-Butanone, 3-(3-chlorophenyl)-3-methyl-
CAS No: 1017478-92-0 Catalog No: AG0005DK MDL No:
Product Description
Catalog Number:
AG0005DK
Chemical Name:
2-Butanone, 3-(3-chlorophenyl)-3-methyl-
CAS Number:
1017478-92-0
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
3-(3-chlorophenyl)-3-methylbutan-2-one
InChI:
InChI=1S/C11H13ClO/c1-8(13)11(2,3)9-5-4-6-10(12)7-9/h4-7H,1-3H3
InChI Key:
HCRWDHCZGJQLJC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C(C(=O)C)(C)C
Properties
Complexity:
198
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.065g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
196.674g/mol
Monoisotopic Mass:
196.065g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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