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898787-07-0

898787-07-0 | 3-(3-CHLOROPHENYL)-2',5'-DIMETHYLPROPIOPHENONE

CAS No: 898787-07-0 Catalog No: AG006IHN MDL No:

Product Description

Catalog Number:
AG006IHN
Chemical Name:
3-(3-CHLOROPHENYL)-2',5'-DIMETHYLPROPIOPHENONE
CAS Number:
898787-07-0
Molecular Formula:
C17H17ClO
Molecular Weight:
272.7693
IUPAC Name:
3-(3-chlorophenyl)-1-(2,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H17ClO/c1-12-6-7-13(2)16(10-12)17(19)9-8-14-4-3-5-15(18)11-14/h3-7,10-11H,8-9H2,1-2H3
InChI Key:
KFFWAPCWCXSSPB-UHFFFAOYSA-N
SMILES:
Cc1ccc(c(c1)C(=O)CCc1cccc(c1)Cl)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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