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30303-58-3 | 1,3,5-Triazin-2(1H)-one, 4,6-bis(phenylamino)-
CAS No: 30303-58-3 Catalog No: AG002ZL3 MDL No:
Product Description
Catalog Number:
AG002ZL3
Chemical Name:
1,3,5-Triazin-2(1H)-one, 4,6-bis(phenylamino)-
CAS Number:
30303-58-3
Molecular Formula:
C15H13N5O
Molecular Weight:
279.2966
IUPAC Name:
4,6-dianilino-1H-1,3,5-triazin-2-one
InChI:
InChI=1S/C15H13N5O/c21-15-19-13(16-11-7-3-1-4-8-11)18-14(20-15)17-12-9-5-2-6-10-12/h1-10H,(H3,16,17,18,19,20,21)
InChI Key:
RQCPXGXHVGRCQZ-UHFFFAOYSA-N
SMILES:
O=c1nc(Nc2ccccc2)nc([nH]1)Nc1ccccc1
Properties
Complexity:
433
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.112g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
279.303g/mol
Monoisotopic Mass:
279.112g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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