UCSF

ZINC02574970

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 14 Yes

Popular Name: 5-Chloro-2-(trifluoromethyl)phenylacetonitrile 5-Chloro-2-(trifluoromethyl)phen…

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CAS Numbers: 261763-26-2 , [261763-26-2]

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) 3.40 4.4 -7.23 0 1 0 23 219.593 2 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 61-63? Alfa-Aesar
Melting_Point 61-63° Alfa-Aesar
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

Rings

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

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