Basic information
- CAS
102583-95-9- Standard SMILES
O=C(O)c1ccccc1Nc1cc(C(F)(F)F)ccc1Cl- InChIKey
RUACPOOIZRJWPK-UHFFFAOYSA-N- Molecular formula
- C14H9ClF3NO2
- Average molar mass
- 315.67 g/mol
- Monoisotopic mass
- 315.0273907
Names & identifiers
- Preferred name
- Anthranilic acid, N-(5-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- 2-[2-chloro-5-(trifluoromethyl)anilino]benzoic acid
- English name
- Benzoic acid, 2-[[3-chloro-5-(trifluoromethyl)phenyl]amino]-
- Molecular formula
- C14H9ClF3NO2
- Molecular weight
- 315.68
Names & synonyms
102583-95-9Anthranilic acid, N-(5-chloro-alpha,alpha,alpha-trifluoro-m-tolyl)-N-(2-Chloro-5-(trifluoromethyl)phenyl)anthranilic acidBenzoic acid, 2-((3-chloro-5-(trifluoromethyl)phenyl)amino)-DTXSID80145302RefChem:319821DTXCID206779313581-06-12-[2-chloro-5-(trifluoromethyl)anilino]benzoic acid2-[[2-Chloro-5-(Trifluoromethyl)Phenyl]Amino]Benzoic Acid2-[[2-Chloro-5-(Trifluoromethyl)Phenyl]Amino]-Benzoic AcidRUACPOOIZRJWPK-UHFFFAOYSA-N
Show more names
Benzoic acid, 2-[[3-chloro-5-(trifluoromethyl)phenyl]amino]-
NSC343590Benzoic acid,2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-AKOS012845975NSC-343590DS-010404
Database identifiers
- CAS
102583-95-9、13581-06-1- PubChem CID
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 378
Physicochemical properties
- Boiling point
- 381.7 · 381.7±42.0 °C(Predicted)
- Density
- 1.478 · 1.478±0.06 g/cm3(Predicted)
- pka
- 3.63 · 3.63±0.36(Predicted)
- EWG's Food Scores
- 1 · 1
Chemistry & industry
Suppliers2 total
CHEMSTEP[email protected]
西格玛奥德里奇（上海）贸易有限公司21-20338288 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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