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1268049-71-3 | 3'-Chloro-6'-methylbutyrophenone
CAS No: 1268049-71-3 Catalog No: AG01FEMI MDL No:
Product Description
Catalog Number:
AG01FEMI
Chemical Name:
3'-Chloro-6'-methylbutyrophenone
CAS Number:
1268049-71-3
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(5-chloro-2-methylphenyl)butan-1-one
InChI:
InChI=1S/C11H13ClO/c1-3-4-11(13)10-7-9(12)6-5-8(10)2/h5-7H,3-4H2,1-2H3
InChI Key:
SRNQGFIODDAOFW-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1C(=O)CCC)Cl
Properties
Complexity:
179
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:
3.4
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