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13797-26-7 | 1H-Pyrrole-2,5-dione, 1-phenyl-3-(phenylamino)-
CAS No: 13797-26-7 Catalog No: AG0017RF MDL No:MFCD00176756
Product Description
Catalog Number:
AG0017RF
Chemical Name:
1H-Pyrrole-2,5-dione, 1-phenyl-3-(phenylamino)-
CAS Number:
13797-26-7
Molecular Formula:
C16H12N2O2
Molecular Weight:
264.2787
MDL Number:
MFCD00176756
IUPAC Name:
3-anilino-1-phenylpyrrole-2,5-dione
InChI:
InChI=1S/C16H12N2O2/c19-15-11-14(17-12-7-3-1-4-8-12)16(20)18(15)13-9-5-2-6-10-13/h1-11,17H
InChI Key:
KTGOYNWJJKTCKT-UHFFFAOYSA-N
SMILES:
O=C1C=C(C(=O)N1c1ccccc1)Nc1ccccc1
NSC Number:
149809
Properties
Complexity:
418
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.09g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.284g/mol
Monoisotopic Mass:
264.09g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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