UCSF

ZINC00074570

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Substance Information

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

Popular Name: 4-Cyano-3-(trifluoromethyl)acetanilide 4-Cyano-3-(trifluoromethyl)aceta…

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CAS Numbers: 97760-99-1 , [97760-99-1]

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) 1.73 4.57 -10.79 1 3 0 53 228.173 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 170-173° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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