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1443328-75-3 | 4'-Chloro-3,3',5'-trimethylbutyrophenone
CAS No: 1443328-75-3 Catalog No: AG01FC1R MDL No:
Product Description
Catalog Number:
AG01FC1R
Chemical Name:
4'-Chloro-3,3',5'-trimethylbutyrophenone
CAS Number:
1443328-75-3
Molecular Formula:
C13H17ClO
Molecular Weight:
224.7265
IUPAC Name:
1-(4-chloro-3,5-dimethylphenyl)-3-methylbutan-1-one
InChI:
InChI=1S/C13H17ClO/c1-8(2)5-12(15)11-6-9(3)13(14)10(4)7-11/h6-8H,5H2,1-4H3
InChI Key:
XPWRYAWGPGXGMH-UHFFFAOYSA-N
SMILES:
CC(CC(=O)c1cc(C)c(c(c1)C)Cl)C
Properties
Complexity:
213
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.097g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
224.728g/mol
Monoisotopic Mass:
224.097g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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