6-[(2-chloro-alpha,alpha,alpha,6-tetrafluoro-p-tolyl)oxy]-alpha-methyl-1H-benzotriazole-1-acetonitrile
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Basic information
- Standard SMILES
CC(C#N)n1nnc2ccc(Oc3cc(F)c(C(F)(F)F)c(Cl)c3)cc21- InChIKey
FOBSPQPOCNXIGF-UHFFFAOYSA-N- Molecular formula
- C16H9ClF4N4O
- Average molar mass
- 384.71 g/mol
- Monoisotopic mass
- 384.0401013
Names & identifiers
- Preferred name
- 6-[(2-chloro-alpha,alpha,alpha,6-tetrafluoro-p-tolyl)oxy]-alpha-methyl-1H-benzotriazole-1-acetonitrile
- IUPAC
- 2-[6-[3-chloro-5-fluoro-4-(trifluoromethyl)phenoxy]benzotriazol-1-yl]propanenitrile
Names & synonyms
6-[(2-chloro-alpha,alpha,alpha,6-tetrafluoro-p-tolyl)oxy]-alpha-methyl-1H-benzotriazole-1-acetonitrile
Database identifiers
- PubChem CID
- 86748751
Properties
Computed structural propertiesFilling in
- XLogP
- 4.5
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 556
Related reactions
1 records
Compound notes
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