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116247-46-2 | 1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-phenyl-5-(phenylmethylene)-
CAS No: 116247-46-2 Catalog No: AG000C1B MDL No:
Product Description
Catalog Number:
AG000C1B
Chemical Name:
1,2,4-Triazin-6(1H)-one, 2,5-dihydro-3-phenyl-5-(phenylmethylene)-
CAS Number:
116247-46-2
Molecular Formula:
C16H13N3O
Molecular Weight:
263.2939
IUPAC Name:
5-benzylidene-3-phenyl-1,2-dihydro-1,2,4-triazin-6-one
InChI:
InChI=1S/C16H13N3O/c20-16-14(11-12-7-3-1-4-8-12)17-15(18-19-16)13-9-5-2-6-10-13/h1-11H,(H,17,18)(H,19,20)
InChI Key:
CIBSDTJVSDOTJL-UHFFFAOYSA-N
SMILES:
O=c1[nH][nH]c(nc1=Cc1ccccc1)c1ccccc1
Properties
Complexity:
415
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.106g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
263.3g/mol
Monoisotopic Mass:
263.106g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
53.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.7
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