Basic information
- Standard SMILES
COC(=O)C(=[N+]=[N-])c1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
POYGKULZOSUBSW-UHFFFAOYSA-N- Molecular formula
- C11H6F6N2O2
- Average molar mass
- 312.17 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3,5-bis(trifluoromethyl)phenyl)-2-diazoacetate
- IUPAC
- methyl 2-[3,5-bis(trifluoromethyl)phenyl]-2-diazoacetate
Names & synonyms
SCHEMBL6152817Methyl 2-(3,5-bis(trifluoromethyl)phenyl)-2-diazoacetatemethyl 2-diazo-2-(3,5-bis(trifluoromethyl)phenyl)acetatemethyl 2diazo-2-(3,5-bis(trifluoromethyl)phenyl)-acetatemethyl (2E)-2-[3,5-bis(trifluoromethyl)phenyl]-2-diazoacetate
Database identifiers
- PubChem CID
- 54200568
- Nikkaji
- J1.323.820K
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 28.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 431
Related reactions
6 records
Compound notes
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