Basic information
- Standard SMILES
NS(=O)(=O)Oc1ccc([N+](=O)[O-])c(C(F)(F)F)c1- InChIKey
AYLRZEYJAVFGGB-UHFFFAOYSA-N- Molecular formula
- C7H5F3N2O5S
- Average molar mass
- 286.19 g/mol
Names & identifiers
- Preferred name
- Sulfamic acid 4-nitro-3-(trifluoromethyl)phenyl ester
- IUPAC
- [4-nitro-3-(trifluoromethyl)phenyl] sulfamate
Names & synonyms
Sulfamic acid 4-nitro-3-(trifluoromethyl)phenyl esterSCHEMBL9451253
Database identifiers
- PubChem CID
- 53668784
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 412
Related reactions
4 records
Compound notes
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