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15787-85-6 | 2-Propen-1-one, 3-chloro-1-(4-chlorophenyl)-
CAS No: 15787-85-6 Catalog No: AG001PS0 MDL No:
Product Description
Catalog Number:
AG001PS0
Chemical Name:
2-Propen-1-one, 3-chloro-1-(4-chlorophenyl)-
CAS Number:
15787-85-6
Molecular Formula:
C9H6Cl2O
Molecular Weight:
201.0493
IUPAC Name:
3-chloro-1-(4-chlorophenyl)prop-2-en-1-one
InChI:
InChI=1S/C9H6Cl2O/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-6H
InChI Key:
DSLXRANAPTYXPW-UHFFFAOYSA-N
SMILES:
ClC=CC(=O)c1ccc(cc1)Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
199.98g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
201.046g/mol
Monoisotopic Mass:
199.98g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.1
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