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119492-75-0 | 3-Butyn-1-one, 1-(4-chlorophenyl)-4-phenyl-
CAS No: 119492-75-0 Catalog No: AG000IVJ MDL No:
Product Description
Catalog Number:
AG000IVJ
Chemical Name:
3-Butyn-1-one, 1-(4-chlorophenyl)-4-phenyl-
CAS Number:
119492-75-0
Molecular Formula:
C16H11ClO
Molecular Weight:
254.7109
IUPAC Name:
1-(4-chlorophenyl)-4-phenylbut-3-yn-1-one
InChI:
InChI=1S/C16H11ClO/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,8H2
InChI Key:
DHGNOMPPFYQVSX-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)C(=O)CC#Cc1ccccc1
Properties
Complexity:
335
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.05g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.713g/mol
Monoisotopic Mass:
254.05g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
17.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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