Basic information
- CAS
176640-05-4- Standard SMILES
O=C(Cl)c1cccc(C2(C(F)(F)F)N=N2)c1- InChIKey
OBAYXVFTIHBRQO-UHFFFAOYSA-N- Molecular formula
- C9H4ClF3N2O
- Average molar mass
- 248.59 g/mol
- Monoisotopic mass
- 247.9964249
Names & identifiers
- Preferred name
- 3-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoyl chloride
- IUPAC
- 3-[3-(trifluoromethyl)diazirin-3-yl]benzoyl chloride
Names & synonyms
DTXSID7011994153-[3-(Trifluoromethyl)-3H-diazirin-3-yl]benzoyl chloride176640-05-4
Database identifiers
- CAS
176640-05-4- PubChem CID
- 165354530
- DTXSID
DTXSID701199415
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 336
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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