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102052-40-4 | 2-Propanone, 1-(2,5-dichlorophenyl)-
CAS No: 102052-40-4 Catalog No: AG0006H7 MDL No:
Product Description
Catalog Number:
AG0006H7
Chemical Name:
2-Propanone, 1-(2,5-dichlorophenyl)-
CAS Number:
102052-40-4
Molecular Formula:
C9H8Cl2O
Molecular Weight:
203.0652
IUPAC Name:
1-(2,5-dichlorophenyl)propan-2-one
InChI:
InChI=1S/C9H8Cl2O/c1-6(12)4-7-5-8(10)2-3-9(7)11/h2-3,5H,4H2,1H3
InChI Key:
CVYJYBCSHUBZTM-UHFFFAOYSA-N
SMILES:
CC(=O)Cc1cc(Cl)ccc1Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.995g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.062g/mol
Monoisotopic Mass:
201.995g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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