Basic information
- CAS
75131-29-2- Standard SMILES
O=C(NNc1cc(Oc2ccc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-])c1ccccc1- InChIKey
CAEJPEBWERZQNM-UHFFFAOYSA-N- Molecular formula
- C20H13ClF3N3O4
- Average molar mass
- 451.8 g/mol
- Monoisotopic mass
- 451.0546681
Names & identifiers
- Preferred name
- Benzoic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)hydrazide
- IUPAC
- N'-[5-[2-chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl]benzohydrazide
Names & synonyms
Benzoic acid, 2-(5-(2-chloro-4-(trifluoromethyl)phenoxy)-2-nitrophenyl)hydrazide75131-29-2DTXSID40226101N'-{5-[2-Chloro-4-(trifluoromethyl)phenoxy]-2-nitrophenyl}benzohydrazide
Database identifiers
- CAS
75131-29-2- PubChem CID
- 5488599
- DTXSID
DTXSID40226101
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 96.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 628
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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