Home Halogens 1-Butanone, 1-(4-chlorophenyl)-3-methyl-

1-Butanone, 1-(4-chlorophenyl)-3-methyl-

CAS No.:
71573-93-8
Catalog Number:
AG005GET
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
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Product Description
Catalog Number:
AG005GET
Chemical Name:
1-Butanone, 1-(4-chlorophenyl)-3-methyl-
CAS Number:
71573-93-8
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
MDL Number:
MFCD00032766
IUPAC Name:
1-(4-chlorophenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C11H13ClO/c1-8(2)7-11(13)9-3-5-10(12)6-4-9/h3-6,8H,7H2,1-2H3
InChI Key:
SCNNXOZSXWBSSI-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(cc1)Cl)C
Properties
Complexity:
169  
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:
3.6  
Properties