UCSF

ZINC02382294

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 14 Yes

Popular Name: 4-Methyl-3-(trifluoromethyl)benzoic acid 4-Methyl-3-(trifluoromethyl)benz…

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CAS Numbers: 261952-01-6 , [261952-01-6]

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) 3.12 3.07 -47.05 0 2 -1 40 203.139 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 175-178? Alfa-Aesar
Melting_Point 175-178° Alfa-Aesar
Purity 95% Fluorochem
Purity 97% Fluorochem
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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