UCSF

ZINC00136796

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 16 Yes

Popular Name: 2-cyano-N-[3-(trifluoromethyl)phenyl]acetamide 2-cyano-N-[3-(trifluoromethyl)ph…

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CAS Numbers: 1960-77-6 , [1960-77-6]

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) 1.45 4.88 -16.68 1 3 0 53 228.173 3 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 143 - 145 KeyOrganics
MP 143-145° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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