UCSF

ZINC04024343

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 15 No

Popular Name: 3-amino-3-[4-(trifluoromethyl)phenyl]acrylonitrile 3-amino-3-[4-(trifluoromethyl)ph…

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CAS Numbers: 71682-89-8 , [71682-89-8]

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) 2.25 5.19 -8.12 2 2 0 50 212.174 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 137-139° Matrix Scientific
Purity 95% Fluorochem
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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