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158120-42-4 | 5H-[1,2,4]Triazolo[1,5-c][1,3]benzoxazin-5-one, 2-phenyl-
CAS No: 158120-42-4 Catalog No: AG001Q00 MDL No:
Product Description
Catalog Number:
AG001Q00
Chemical Name:
5H-[1,2,4]Triazolo[1,5-c][1,3]benzoxazin-5-one, 2-phenyl-
CAS Number:
158120-42-4
Molecular Formula:
C15H9N3O2
Molecular Weight:
263.2509
IUPAC Name:
2-phenyl-[1,2,4]triazolo[1,5-c][1,3]benzoxazin-5-one
InChI:
InChI=1S/C15H9N3O2/c19-15-18-14(11-8-4-5-9-12(11)20-15)16-13(17-18)10-6-2-1-3-7-10/h1-9H
InChI Key:
YEILPXZRUKXLGV-UHFFFAOYSA-N
SMILES:
O=c1oc2ccccc2c2n1nc(n2)c1ccccc1
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
263.069g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
263.256g/mol
Monoisotopic Mass:
263.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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