UCSF

ZINC02513558

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Substance Information

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

Popular Name: 4-Amino-2-(trifluoromethyl)benzoic acid 4-Amino-2-(trifluoromethyl)benzo…

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CAS Numbers: 393-06-6 , [393-06-6]

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) 1.41 2.77 -52.87 2 3 -1 66 204.127 2 ↓
Hi High (pH 8-9.5) 2.09 6.34 -15.22 1 11 0 143 505.597 12 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 183-186? Alfa-Aesar
Melting_Point 183-186° Alfa-Aesar
MP 185-187° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT Matrix Scientific

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