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14966-85-9 | 1H-Isoindole-1,3(2H)-dione, 2-[4-(phenylamino)phenyl]-
CAS No: 14966-85-9 Catalog No: AG001LWH MDL No:
Product Description
Catalog Number:
AG001LWH
Chemical Name:
1H-Isoindole-1,3(2H)-dione, 2-[4-(phenylamino)phenyl]-
CAS Number:
14966-85-9
Molecular Formula:
C20H14N2O2
Molecular Weight:
314.3374
IUPAC Name:
2-(4-anilinophenyl)isoindole-1,3-dione
InChI:
InChI=1S/C20H14N2O2/c23-19-17-8-4-5-9-18(17)20(24)22(19)16-12-10-15(11-13-16)21-14-6-2-1-3-7-14/h1-13,21H
InChI Key:
ABXZTEWWBDGZRZ-UHFFFAOYSA-N
SMILES:
O=C1N(c2ccc(cc2)Nc2ccccc2)C(=O)c2c1cccc2
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.106g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.344g/mol
Monoisotopic Mass:
314.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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