UCSF

ZINC02572883

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: 4-Methoxy-3-(trifluoromethyl)benzoic acid 4-Methoxy-3-(trifluoromethyl)ben…

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CAS Numbers: 213598-09-5 , [213598-09-5]

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) 2.73 3.05 -46.68 0 3 -1 49 219.138 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 166-168.6° Oakwood Chemical
Melting_Point 169-171? Alfa-Aesar
Melting_Point 169-171° Alfa-Aesar
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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