Ethyl 5-(4-nitrophenyl)-1,2,3-triazolidine-4-carboxylate
Basic information
- CAS
35307-27-8- Standard SMILES
CCOC(=O)C1NNNC1c1ccc([N+](=O)[O-])cc1- InChIKey
MBLWOLYQENQRRP-UHFFFAOYSA-N- Molecular formula
- C11H14N4O4
- Average molar mass
- 266.25 g/mol
- Monoisotopic mass
- 266.10150494
Names & identifiers
- Preferred name
- Ethyl 5-(4-nitrophenyl)-1,2,3-triazolidine-4-carboxylate
- IUPAC
- ethyl 5-(4-nitrophenyl)triazolidine-4-carboxylate
- English name
- 5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
- Molecular weight
- 0
Names & synonyms
DTXSID90701610Ethyl 5-(4-nitrophenyl)-1,2,3-triazolidine-4-carboxylate5-(4-Nitrophenyl)-1H-1,2,3-triazole-4-carboxylic acid ethyl ester
Database identifiers
- CAS
35307-27-8- PubChem CID
- 53438947
- DTXSID
DTXSID90701610
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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