Home Halogens 1-chloro-3-methyl-3-phenylbutan-2-one

1-chloro-3-methyl-3-phenylbutan-2-one

CAS No.:
64922-05-0
Catalog Number:
AG01BXJ5
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
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Product Description
Catalog Number:
AG01BXJ5
Chemical Name:
1-chloro-3-methyl-3-phenylbutan-2-one
CAS Number:
64922-05-0
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
MDL Number:
MFCD20627695
IUPAC Name:
1-chloro-3-methyl-3-phenylbutan-2-one
InChI:
InChI=1S/C11H13ClO/c1-11(2,10(13)8-12)9-6-4-3-5-7-9/h3-7H,8H2,1-2H3
InChI Key:
GQQUKXOVRPQCHJ-UHFFFAOYSA-N
SMILES:
ClCC(=O)C(c1ccccc1)(C)C
Properties
Complexity:
181  
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:
3  
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties