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23448-86-4 | 1,2,4-Triazin-3(2H)-one, 6-phenyl-
CAS No: 23448-86-4 Catalog No: AG002N9T MDL No:
Product Description
Catalog Number:
AG002N9T
Chemical Name:
1,2,4-Triazin-3(2H)-one, 6-phenyl-
CAS Number:
23448-86-4
Molecular Formula:
C9H7N3O
Molecular Weight:
173.1714
IUPAC Name:
6-phenyl-2H-1,2,4-triazin-3-one
InChI:
InChI=1S/C9H7N3O/c13-9-10-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,10,12,13)
InChI Key:
FVUIKOKQEZSEGP-UHFFFAOYSA-N
SMILES:
O=c1ncc(n[nH]1)c1ccccc1
Properties
Complexity:
264
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
173.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.175g/mol
Monoisotopic Mass:
173.059g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
53.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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