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1267143-31-6 | 3'-Chloro-2,2'-dimethylpropiophenone
CAS No: 1267143-31-6 Catalog No: AG01FDH9 MDL No:
Product Description
Catalog Number:
AG01FDH9
Chemical Name:
3'-Chloro-2,2'-dimethylpropiophenone
CAS Number:
1267143-31-6
Molecular Formula:
C11H13ClO
Molecular Weight:
196.6733
IUPAC Name:
1-(3-chloro-2-methylphenyl)-2-methylpropan-1-one
InChI:
InChI=1S/C11H13ClO/c1-7(2)11(13)9-5-4-6-10(12)8(9)3/h4-7H,1-3H3
InChI Key:
KFXDCTRSGASHAO-UHFFFAOYSA-N
SMILES:
CC(C(=O)c1cccc(c1C)Cl)C
Properties
Complexity:
189
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:
3.6
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