Basic information
- CAS
1432053-86-5- Standard SMILES
COC(=O)c1ccc(-c2cc(C(F)(F)F)cc(Cl)n2)cc1- InChIKey
NDTSEQBEAGTZSU-UHFFFAOYSA-N- Molecular formula
- C14H9ClF3NO2
- Average molar mass
- 315.67 g/mol
- Monoisotopic mass
- 315.0273907
Names & identifiers
- Preferred name
- Methyl 4-[6-chloro-4-(trifluoromethyl)-2-pyridyl]benzoate
- IUPAC
- methyl 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]benzoate
Names & synonyms
1432053-86-5methyl 4-[6-chloro-4-(trifluoromethyl)-2-pyridyl]benzoatemethyl 4-[6-chloro-4-(trifluoromethyl)pyridin-2-yl]benzoateMethyl 4-[2-chloro-4-(trifluoromethyl)pyridin-6-yl]benzoateMFCD24369736Methyl 4-(6-chloro-4-(trifluoromethyl)pyridin-2-yl)benzoateDTXSID101148438AKOS030246169CS-10269Benzoic acid, 4-[6-chloro-4-(trifluoromethyl)-2-pyridinyl]-, methyl ester
Database identifiers
- CAS
1432053-86-5- PubChem CID
- 91664066
- DTXSID
DTXSID101148438
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 39.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 370
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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