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Home > Nitro Compounds > 31052-92-3
31052-92-3 | [1,2,4]Triazolo[1,5-a]pyridine, 8-nitro-2-phenyl-
CAS No: 31052-92-3 Catalog No: AG00320S MDL No:
Product Description
Catalog Number:
AG00320S
Chemical Name:
[1,2,4]Triazolo[1,5-a]pyridine, 8-nitro-2-phenyl-
CAS Number:
31052-92-3
Molecular Formula:
C12H8N4O2
Molecular Weight:
240.2175
IUPAC Name:
8-nitro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridine
InChI:
InChI=1S/C12H8N4O2/c17-16(18)10-7-4-8-15-12(10)13-11(14-15)9-5-2-1-3-6-9/h1-8H
InChI Key:
WEKRFYPGZQDHOQ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccn2c1nc(n2)c1ccccc1
NSC Number:
116471
Properties
Complexity:
314
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.065g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
240.222g/mol
Monoisotopic Mass:
240.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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