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113443-85-9 | 1,3-Butanedione, 2-[(3-chlorophenyl)methylene]-1-phenyl-
CAS No: 113443-85-9 Catalog No: AG0008MF MDL No:
Product Description
Catalog Number:
AG0008MF
Chemical Name:
1,3-Butanedione, 2-[(3-chlorophenyl)methylene]-1-phenyl-
CAS Number:
113443-85-9
Molecular Formula:
C17H13ClO2
Molecular Weight:
284.7369
IUPAC Name:
2-[(3-chlorophenyl)methylidene]-1-phenylbutane-1,3-dione
InChI:
InChI=1S/C17H13ClO2/c1-12(19)16(11-13-6-5-9-15(18)10-13)17(20)14-7-3-2-4-8-14/h2-11H,1H3
InChI Key:
FDWALFOBCKXYPC-UHFFFAOYSA-N
SMILES:
Clc1cccc(c1)C=C(C(=O)c1ccccc1)C(=O)C
Properties
Complexity:
394
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.06g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.739g/mol
Monoisotopic Mass:
284.06g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.9
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