UCSF

ZINC02382125

Draw Identity 99% 90% 80% 70%

Substance Information

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

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

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CAS Numbers: 1737-36-6 , [1737-36-6]

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) 3.35 2.72 -41.3 0 2 -1 40 223.557 2 ↓

Vendor Notes

Note Type Comments Provided By
mp 157 - 159 MolMall (formerly Molecular Diversity Preservation International)
Melting_Point 163-165? Alfa-Aesar
Melting_Point 163-165° Alfa-Aesar
MP 164° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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