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Home > Nitro Compounds > 31040-09-2
31040-09-2 | 1,2,4-Triazolo[4,3-a]pyridine, 8-nitro-
CAS No: 31040-09-2 Catalog No: AG0031ZI MDL No:
Product Description
Catalog Number:
AG0031ZI
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 8-nitro-
CAS Number:
31040-09-2
Molecular Formula:
C6H4N4O2
Molecular Weight:
164.1216
IUPAC Name:
8-nitro-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C6H4N4O2/c11-10(12)5-2-1-3-9-4-7-8-6(5)9/h1-4H
InChI Key:
VKNXTGMZHIZTOZ-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccn2c1nnc2
NSC Number:
116469
Properties
Complexity:
193
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.033g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.124g/mol
Monoisotopic Mass:
164.033g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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