1-Methyl-3-nitro-1,2,4-triazole - CAS 26621-45-4
Catalog: |
BB047398 |
Product Name: |
1-Methyl-3-nitro-1,2,4-triazole |
CAS: |
26621-45-4 |
Synonyms: |
1-methyl-3-nitro-1H-1,2,4-triazole; 3-NTR; 1H-1,2,4-Triazole, 1-methyl-3-nitro- |
IUPAC Name: | 1-methyl-3-nitro-1,2,4-triazole |
Description: | 1-Methyl-3-nitro-1,2,4-triazole (CAS# 26621-45-4 ) is a useful research chemical. |
Molecular Weight: | 128.09 |
Molecular Formula: | C3H4N4O2 |
Canonical SMILES: | CN1C=NC(=N1)[N+](=O)[O-] |
InChI: | InChI=1S/C3H4N4O2/c1-6-2-4-3(5-6)7(8)9/h2H,1H3 |
InChI Key: | DOEWLMFVRWMCGM-UHFFFAOYSA-N |
Boiling Point: | 337.8 ℃ at 760 mmHg |
Density: | 1.66 g/cm3 |
Complexity: | 122 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 128.03342538 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 128.03342538 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 76.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.7 |
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