UCSF

ZINC02557529

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 Yes

Popular Name: (2,4-Difluorophenylthio)acetonitrile (2,4-Difluorophenylthio)acetonit…

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CAS Numbers: 175277-63-1 , [175277-63-1]

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) 2.41 3.43 -10.21 0 1 0 24 185.198 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 138°/15mm Matrix Scientific
Purity 97% Matrix Scientific
Warnings TOXIC Matrix Scientific

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