Basic information
- CAS
70965-27-4- Standard SMILES
CCOC(=O)Cn1nc([N+](=O)[O-])nc1C- InChIKey
ZWEVGEBDFOTUKA-UHFFFAOYSA-N- Molecular formula
- C7H10N4O4
- Average molar mass
- 214.18 g/mol
- Monoisotopic mass
- 214.07020481
Names & identifiers
- Preferred name
- 1H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl ester
- IUPAC
- ethyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetate
Names & synonyms
ethyl 2-(5-methyl-3-nitro-1,2,4-triazol-1-yl)acetate70965-27-41H-1,2,4-Triazole-1-acetic acid, 5-methyl-3-nitro-, ethyl esterOprea1_642592DTXSID00389584AKOS000640940ST50739867Ethyl (5-methyl-3-nitro-1H-1,2,4-triazol-1-yl)acetate
Database identifiers
- CAS
70965-27-4- PubChem CID
- 3127075
- DTXSID
DTXSID00389584
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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