UCSF

ZINC00155244

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 2,4-Difluorophenylacetonitrile 2,4-Difluorophenylacetonitrile

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CAS Numbers: 656-35-9 , [656-35-9]

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) 2.16 4.21 -9.3 0 1 0 24 153.131 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
BP 98 / 10 TCI
Purity 98% Matrix Scientific
Boiling_Point 98?/10mm Alfa-Aesar
Boiling_Point 98°/10mm Alfa-Aesar
Warnings TOXIC Matrix Scientific

Activity (Go SEA)

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