2-fluoro-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
Basic information
- CAS
301814-17-5- Standard SMILES
O=C(CF)NC(NC(=S)Nc1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl- InChIKey
SXQLZTJNLWGRIZ-UHFFFAOYSA-N- Molecular formula
- C11H10Cl3FN4O3S
- Average molar mass
- 403.6 g/mol
- Monoisotopic mass
- 401.952323
Names & identifiers
- Preferred name
- 2-fluoro-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide
- IUPAC
- 2-fluoro-N-[2,2,2-trichloro-1-[(2-nitrophenyl)carbamothioylamino]ethyl]acetamide
Names & synonyms
STK808552AKOS001602281AKOS0162883342-FLUORO-N-(2,2,2-TRICHLORO-1-[3-(2-NITRO-PHENYL)-THIOUREIDO]-ETHYL)-ACETAMIDE2-fluoro-N-(2,2,2-trichloro-1-{[(2-nitrophenyl)carbamothioyl]amino}ethyl)acetamide2-fluoro-N-[2,2,2-trichloro-1-({[(2-nitrophenyl)amino]carbonothioyl}amino)ethyl]acetamide
Database identifiers
- CAS
301814-17-5- PubChem CID
- 4458410
- EC Number
- 151-299-0
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 131 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 461
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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