Basic information
- CAS
75131-48-5- Standard SMILES
CCOC(=O)NNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-]- InChIKey
HCIODTSSIAYYJD-UHFFFAOYSA-N- Molecular formula
- C16H13ClF3N3O5
- Average molar mass
- 419.74 g/mol
- Monoisotopic mass
- 419.0495827
Names & identifiers
- Preferred name
- Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, ethyl ester
- IUPAC
- ethyl N-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitroanilino]carbamate
Names & synonyms
Hydrazinecarboxylic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)-, ethyl ester75131-48-5SCHEMBL10848070DTXSID40226106Ethyl 2-{5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}hydrazine-1-carboxylate
Database identifiers
- CAS
75131-48-5- PubChem CID
- 5488604
- DTXSID
DTXSID40226106
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 549
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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