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112371-90-1 | Oxazolo[4,5-e]-1,2,4-triazine, 3,6-diphenyl-
CAS No: 112371-90-1 Catalog No: AG007TIC MDL No:
Product Description
Catalog Number:
AG007TIC
Chemical Name:
Oxazolo[4,5-e]-1,2,4-triazine, 3,6-diphenyl-
CAS Number:
112371-90-1
Molecular Formula:
C16H10N4O
Molecular Weight:
274.2768
IUPAC Name:
3,6-diphenyl-[1,3]oxazolo[4,5-e][1,2,4]triazine
InChI:
InChI=1S/C16H10N4O/c1-3-7-11(8-4-1)13-17-14-16(20-19-13)21-15(18-14)12-9-5-2-6-10-12/h1-10H
InChI Key:
ARCZPQZOBVHWEE-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)c1nnc2c(n1)nc(o2)c1ccccc1
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.085g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
274.283g/mol
Monoisotopic Mass:
274.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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