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898765-96-3 | 2',5'-DICHLORO-2,2-DIMETHYLBUTYROPHENONE
CAS No: 898765-96-3 Catalog No: AG006N6P MDL No:
Product Description
Catalog Number:
AG006N6P
Chemical Name:
2',5'-DICHLORO-2,2-DIMETHYLBUTYROPHENONE
CAS Number:
898765-96-3
Molecular Formula:
C12H14Cl2O
Molecular Weight:
245.1450
IUPAC Name:
1-(2,5-dichlorophenyl)-2,2-dimethylbutan-1-one
InChI:
InChI=1S/C12H14Cl2O/c1-4-12(2,3)11(15)9-7-8(13)5-6-10(9)14/h5-7H,4H2,1-3H3
InChI Key:
WFJUJFHEUKJXLV-UHFFFAOYSA-N
SMILES:
CCC(C(=O)c1cc(Cl)ccc1Cl)(C)C
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.042g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
245.143g/mol
Monoisotopic Mass:
244.042g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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