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898781-02-7 | 2',5'-DICHLORO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
CAS No: 898781-02-7 Catalog No: AG006JAX MDL No:
Product Description
Catalog Number:
AG006JAX
Chemical Name:
2',5'-DICHLORO-3-(3,5-DIMETHYLPHENYL)PROPIOPHENONE
CAS Number:
898781-02-7
Molecular Formula:
C17H16Cl2O
Molecular Weight:
307.2143
IUPAC Name:
1-(2,5-dichlorophenyl)-3-(3,5-dimethylphenyl)propan-1-one
InChI:
InChI=1S/C17H16Cl2O/c1-11-7-12(2)9-13(8-11)3-6-17(20)15-10-14(18)4-5-16(15)19/h4-5,7-10H,3,6H2,1-2H3
InChI Key:
NCJAJUBPWYSOEJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(c(c1)C(=O)CCc1cc(C)cc(c1)C)Cl
Properties
Complexity:
321
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
306.058g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
307.214g/mol
Monoisotopic Mass:
306.058g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.5
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