UCSF

ZINC02556417

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 13 Yes

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

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CAS Numbers: 62039-92-3 , [62039-92-3]

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) 2.62 0.1 -53.59 3 1 1 27 210.606 2 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 100-104?/12mm Alfa-Aesar
Boiling_Point 100-104°/12mm Alfa-Aesar
Purity 97% Fluorochem
Warnings CORROSIVE Matrix Scientific

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

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