ZO1
Summary
Name: | 3-(trifluoromethyl)benzaldehyde |
Formula: | C8 H5 F3 O2 |
Formal charge: | 0 |
Formula weight: | 190.119 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 12.01 | 3-(trifluoromethyl)benzaldehyde |
OpenEye OEToolkits | 2.0.7 | 3-(trifluoromethyl)benzoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1cccc(C=O)c1 |
InChI | InChI | 1.06 | InChI=1S/C8H5F3O2/c9-8(10,11)6-3-1-2-5(4-6)7(12)13/h1-4H,(H,12,13) |
InChIKey | InChI | 1.06 | FQXQBFUUVCDIRK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cccc(c1)C(F)(F)F |
SMILES | CACTVS | 3.385 | OC(=O)c1cccc(c1)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)C(F)(F)F)C(=O)O |