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Home > Nitro Compounds > 31040-10-5
31040-10-5 | 1,2,4-Triazolo[4,3-a]pyridine, 3-methyl-8-nitro-
CAS No: 31040-10-5 Catalog No: AG0031ZH MDL No:MFCD02947288
Product Description
Catalog Number:
AG0031ZH
Chemical Name:
1,2,4-Triazolo[4,3-a]pyridine, 3-methyl-8-nitro-
CAS Number:
31040-10-5
Molecular Formula:
C7H6N4O2
Molecular Weight:
178.1481
MDL Number:
MFCD02947288
IUPAC Name:
3-methyl-8-nitro-[1,2,4]triazolo[4,3-a]pyridine
InChI:
InChI=1S/C7H6N4O2/c1-5-8-9-7-6(11(12)13)3-2-4-10(5)7/h2-4H,1H3
InChI Key:
DLPGXJBTSGCREP-UHFFFAOYSA-N
SMILES:
[O-][N+](=O)c1cccn2c1nnc2C
NSC Number:
116470
Properties
Complexity:
217
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.049g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.151g/mol
Monoisotopic Mass:
178.049g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
76A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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