[2-Nitro-4-(trifluoromethyl)phenyl]methanamine
Basic information
- CAS
58579-56-9- Standard SMILES
NCc1ccc(C(F)(F)F)cc1[N+](=O)[O-]- InChIKey
YEPQBZHQKFWZPL-UHFFFAOYSA-N- Molecular formula
- C8H7F3N2O2
- Average molar mass
- 220.15 g/mol
- Monoisotopic mass
- 220.04596196
Names & identifiers
- Preferred name
- [2-Nitro-4-(trifluoromethyl)phenyl]methanamine
- IUPAC
- [2-nitro-4-(trifluoromethyl)phenyl]methanamine
Names & synonyms
58579-56-9[2-nitro-4-(trifluoromethyl)phenyl]methanamineBenzenemethanamine, 2-nitro-4-(trifluoromethyl)-2-Nitro-4-(trifluoromethyl)benzylamineSCHEMBL5237815DTXSID501252594DA-046552-Nitro-4-(trifluoromethyl)benzenemethanamineEN300-19357881-[2-NITRO-4-(TRIFLUOROMETHYL)PHENYL]METHANAMINE
Database identifiers
- CAS
58579-56-9- PubChem CID
- 44518690
- DTXSID
DTXSID501252594
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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