UCSF

ZINC08699760

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2007 14 Yes

Popular Name: 2-Amino-5-(trifluoromethyl)benzoic acid 2-Amino-5-(trifluoromethyl)benzo…

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CAS Numbers: 83265-53-6 , 845797-42-4 , [83265-53-6]

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) 2.34 3.21 -45.95 2 3 -1 66 204.127 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 141-146? dec. Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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

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