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126314-18-9 | 1-Butanone, 1-(4-chlorophenyl)-4-phenyl-
CAS No: 126314-18-9 Catalog No: AG000SJQ MDL No:
Product Description
Catalog Number:
AG000SJQ
Chemical Name:
1-Butanone, 1-(4-chlorophenyl)-4-phenyl-
CAS Number:
126314-18-9
Molecular Formula:
C16H15ClO
Molecular Weight:
258.7427
IUPAC Name:
1-(4-chlorophenyl)-4-phenylbutan-1-one
InChI:
InChI=1S/C16H15ClO/c17-15-11-9-14(10-12-15)16(18)8-4-7-13-5-2-1-3-6-13/h1-3,5-6,9-12H,4,7-8H2
InChI Key:
XBNHZLYVPDVHAJ-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)CCCc1ccccc1
Properties
Complexity:
250
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.081g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
258.745g/mol
Monoisotopic Mass:
258.081g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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