UCSF

ZINC02574966

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 5-Chloro-2-(trifluoromethyl)benzoic acid 5-Chloro-2-(trifluoromethyl)benz…

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CAS Numbers: 142994-09-0 , 654-98-8 , [654-98-8]

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 3.01 2.48 -46.85 0 2 -1 40 223.557 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 84-85° Matrix Scientific
Melting_Point 84-87? Alfa-Aesar
Melting_Point 84-87° Alfa-Aesar
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

Analogs ( Draw Identity 99% 90% 80% 70% )