UCSF

ZINC03276855

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 7th, 2004 12 No

Popular Name: 2-Chloro-1-(3,4-difluoro-phenyl)-ethanone 2-Chloro-1-(3,4-difluoro-phenyl)…

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CAS Numbers: 51336-95-9 , [51336-95-9]

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) 2.32 2.77 -10.69 0 1 0 17 190.576 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 37 - 39 Enamine Building Blocks
MP 37...39 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0303291A2; EP0303291B1; EP0342849A2; EP0411252A1; EP0411252B1; US4994610; US5068449; US5093515; US5093529 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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

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