UCSF

ZINC02382088

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2004 11 Yes

Popular Name: 5-Chloro-2-fluorophenylacetonitrile 5-Chloro-2-fluorophenylacetonitrile

Find On: PubMed — Wikipedia — Google

CAS Numbers: 75279-54-8 , [75279-54-8]

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) 2.67 3.32 -7.4 0 1 0 24 169.586 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 97% Matrix Scientific
Warnings IRRITANT-HARMFUL Matrix Scientific
PUBCHEM_PATENT_ID US4369322 IBM Patent Data

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

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