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1233333-71-5 | 4'-Chloro-3',5'-dimethylpropiophenone
CAS No: 1233333-71-5 Catalog No: AG01FCZ6 MDL No:
Product Description
Catalog Number:
AG01FCZ6
Chemical Name:
4'-Chloro-3',5'-dimethylpropiophenone
CAS Number:
1233333-71-5
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(4-chloro-3,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C11H13ClO/c1-4-10(13)9-5-7(2)11(12)8(3)6-9/h5-6H,4H2,1-3H3
InChI Key:
GAXFTMINTMKYLF-UHFFFAOYSA-N
SMILES:
CCC(=O)c1cc(C)c(c(c1)C)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:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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