UCSF

ZINC00153907

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 14 Yes

Popular Name: 2-Amino-6-trifluoromethylbenzoic acid 2-Amino-6-trifluoromethylbenzoic…

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CAS Numbers: 314-46-5 , 387358-50-1

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) 1.79 3.03 -52.58 2 3 -1 66 204.127 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 130-133? Alfa-Aesar
Melting_Point 130-133° Alfa-Aesar
Purity 98% Fluorochem
MP >200° (sub.) Oakwood Chemical
MP >200°(sub) Matrix Scientific
MP >200°C sub. Fluorochem
Warnings Irritant Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.