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1267959-99-8 | 4'-Chloro-2',3-dimethylbutyrophenone
CAS No: 1267959-99-8 Catalog No: AG01FDHE MDL No:
Product Description
Catalog Number:
AG01FDHE
Chemical Name:
4'-Chloro-2',3-dimethylbutyrophenone
CAS Number:
1267959-99-8
Molecular Formula:
C12H15ClO
Molecular Weight:
210.6999
IUPAC Name:
1-(4-chloro-2-methylphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C12H15ClO/c1-8(2)6-12(14)11-5-4-10(13)7-9(11)3/h4-5,7-8H,6H2,1-3H3
InChI Key:
VUJFIJKMZUBYLW-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1ccc(cc1C)Cl)C
Properties
Complexity:
201
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.081g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
210.701g/mol
Monoisotopic Mass:
210.081g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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