Basic information
- CAS
110101-82-1- Standard SMILES
O=C(NCCF)Oc1ccc([N+](=O)[O-])cc1- InChIKey
KGGKJNLGKVDVCC-UHFFFAOYSA-N- Molecular formula
- C9H9FN2O4
- Average molar mass
- 228.18 g/mol
- Monoisotopic mass
- 228.05463493
Names & identifiers
- Preferred name
- Carbamic acid, (2-fluoroethyl)-, 4-nitrophenyl ester
- IUPAC
- (4-nitrophenyl) N-(2-fluoroethyl)carbamate
Names & synonyms
110101-82-1Carbamic acid, (2-fluoroethyl)-, 4-nitrophenyl esterNSC334035DTXSID103186884-Nitrophenyl (2-fluoroethyl)carbamateNSC-334035
Database identifiers
- CAS
110101-82-1- PubChem CID
- 333363
- DTXSID
DTXSID10318688
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 84.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 248
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…