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114081-00-4 | 2,3-Butadienamide, N-phenyl-N-[(phenylamino)carbonyl]-
CAS No: 114081-00-4 Catalog No: AG000AI6 MDL No:
Product Description
Catalog Number:
AG000AI6
Chemical Name:
2,3-Butadienamide, N-phenyl-N-[(phenylamino)carbonyl]-
CAS Number:
114081-00-4
Molecular Formula:
C17H14N2O2
Molecular Weight:
278.3053
IUPAC Name:
[but-3-enoyl(phenyl)carbamoyl]-phenylazanide
InChI:
InChI=1S/C17H14N2O2/c1-2-9-16(20)19(15-12-7-4-8-13-15)17(21)18-14-10-5-3-6-11-14/h2-13H,1H2
InChI Key:
VLZCBSIFPRRKNX-UHFFFAOYSA-N
SMILES:
C=C=CC(=O)N(c1ccccc1)C(=O)Nc1ccccc1
Properties
Complexity:
369
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.106g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
278.311g/mol
Monoisotopic Mass:
278.106g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
38.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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