Basic information
- CAS
76874-96-9- Standard SMILES
O=C(OCCOCCO)c1cc(O)ccc1Nc1cccc(C(F)(F)F)c1- InChIKey
SQGBFZSOEZUQRV-UHFFFAOYSA-N- Molecular formula
- C18H18F3NO5
- Average molar mass
- 385.3 g/mol
- Monoisotopic mass
- 385.11370716
Names & identifiers
- Preferred name
- Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl ester
- IUPAC
- 2-(2-hydroxyethoxy)ethyl 5-hydroxy-2-[3-(trifluoromethyl)anilino]benzoate
Names & synonyms
BRN 607448176874-96-9Benzoic acid, 5-hydroxy-2-((3-(trifluoromethyl)phenyl)amino)-, 2-(2-hydroxyethoxy)ethyl esterDTXSID002276792-(2-Hydroxyethoxy)ethyl 5-hydroxy-2-((3-trifluoromethyl)phenylamino)benzoate2-(2-Hydroxyethoxy)ethyl 5-hydroxy-N-(3-trifluoromethylphenyl)anthranilat [German]5-Hydroxy-2-((3-(trifluoromethyl)phenyl)amino)benzoic acid 2-(2-hydroxyethoxy)ethyl ester2-(2-Hydroxyethoxy)ethyl 5-hydroxy-N-(3-trifluoromethylphenyl)anthranilatRefChem:327685DTXCID001501702-(2-HYDROXYETHOXY)ETHYL 5-HYDROXY-2-{[3-(TRIFLUOROMETHYL)PHENYL]AMINO}BENZOATE2-(2-hydroxyethoxy)ethyl 5-hydroxy-2-[3-(trifluoromethyl)anilino]benzoate
Show more names
EBC-66089EN300-22932901
Database identifiers
- CAS
76874-96-9
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 88 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 9
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 463
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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