Basic information
- CAS
6975-18-4- Standard SMILES
COC(=O)C(N=Nc1ccccc1)C(O)C(F)(F)F- InChIKey
ACJPJWZAYJWGEC-UHFFFAOYSA-N- Molecular formula
- C11H11F3N2O3
- Average molar mass
- 276.21 g/mol
- Monoisotopic mass
- 276.0721767
Names & identifiers
- Preferred name
- Methyl 4,4,4-trifluoro-3-hydroxy-2-[(e)-phenyldiazenyl]butanoate
- IUPAC
- methyl 4,4,4-trifluoro-3-hydroxy-2-phenyldiazenylbutanoate
Names & synonyms
6975-18-4methyl 4,4,4-trifluoro-3-hydroxy-2-[(e)-phenyldiazenyl]butanoateNSC22083DTXSID00281594NSC-22083DS-001269methyl 4,4,4-trifluoro-3-hydroxy-2-phenyldiazenyl-butanoate
Database identifiers
- CAS
6975-18-4- PubChem CID
- 228901
- DTXSID
DTXSID00281594
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 71.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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