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898787-01-4 | 3-(3-CHLOROPHENYL)-2',3'-DIMETHYLPROPIOPHENONE
CAS No: 898787-01-4 Catalog No: AG006IHR MDL No:
Product Description
Catalog Number:
AG006IHR
Chemical Name:
3-(3-CHLOROPHENYL)-2',3'-DIMETHYLPROPIOPHENONE
CAS Number:
898787-01-4
Molecular Formula:
C17H17ClO
Molecular Weight:
272.7693
IUPAC Name:
3-(3-chlorophenyl)-1-(2,3-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17ClO/c1-12-5-3-8-16(13(12)2)17(19)10-9-14-6-4-7-15(18)11-14/h3-8,11H,9-10H2,1-2H3
InChI Key:
YBXFQHLQMOPZKD-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)CCC(=O)c1cccc(c1C)C
Properties
Complexity:
302
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.097g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
272.772g/mol
Monoisotopic Mass:
272.097g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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