Basic information
- CAS
672950-98-0- Standard SMILES
N#Cc1ccc(OC(=O)Cn2c(C(F)(F)F)nc3ccccc32)cc1- InChIKey
CPKNZMQSNRYRSD-UHFFFAOYSA-N- Molecular formula
- C17H10F3N3O2
- Average molar mass
- 345.27 g/mol
- Monoisotopic mass
- 345.07251106
Names & identifiers
- Preferred name
- 4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate
- IUPAC
- (4-cyanophenyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
- English name
- 4-Cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate
- Molecular formula
- C17H10F3N3O2
- Molecular weight
- 345.28
Names & synonyms
672950-98-04-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzimidazol-1-yl]acetate(4-cyanophenyl) 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate4-cyanophenyl 2-[2-(trifluoromethyl)-1H-1,3-benzodiazol-1-yl]acetateMFCD02187461Bionet2_000610DTXSID501185430HMS1365L16AKOS0050946595R-15434-Cyanophenyl 2-(trifluoromethyl)-1H-benzimidazole-1-acetate4-Cyanophenyl [2-(trifluoromethyl)-1H-benzimidazol-1-yl]acetate
Show more names
1H-Benzimidazole-1-acetic acid, 2-(trifluoromethyl)-, 4-cyanophenyl ester
4-Cyanophenyl 2-(2-(trifluoromethyl)-1H-benzo[d]imidazol-1-yl)acetate
Database identifiers
- CAS
672950-98-0- PubChem CID
- 3765652
- DTXSID
DTXSID501185430
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 67.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 537
Physicochemical properties
- Boiling point
- 483.1 · 483.1±45.0 °C(Predicted)
- Density
- 1.37 · 1.37±0.1 g/cm3(Predicted)
- pka
- 1.73 · 1.73±0.10(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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