4-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]benzohydrazide - CAS 832741-16-9
Catalog: |
BB045897 |
Product Name: |
4-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]benzohydrazide |
CAS: |
832741-16-9 |
Synonyms: |
4-((3-Nitro-1H-1,2,4-triazol-1-yl)methyl)benzohydrazide |
IUPAC Name: | 4-[(3-nitro-1,2,4-triazol-1-yl)methyl]benzohydrazide |
Description: | 4-[(3-Nitro-1H-1,2,4-triazol-1-yl)methyl]benzohydrazide (CAS# 832741-16-9 ) is a useful research chemical. |
Molecular Weight: | 262.23 |
Molecular Formula: | C10H10N6O3 |
Canonical SMILES: | C1=CC(=CC=C1CN2C=NC(=N2)[N+](=O)[O-])C(=O)NN |
InChI: | InChI=1S/C10H10N6O3/c11-13-9(17)8-3-1-7(2-4-8)5-15-6-12-10(14-15)16(18)19/h1-4,6H,5,11H2,(H,13,17) |
InChI Key: | PZXLKNUDRRLMPR-UHFFFAOYSA-N |
Density: | 1.6±0.1 g/cm3 |
Complexity: | 339 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 262.0814382 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 262.0814382 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 132 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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