UCSF

ZINC49538681

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2010 11 Yes

Popular Name: (2,2-Dichlorocyclopropyl)benzene (2,2-Dichlorocyclopropyl)benzene

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CAS Numbers: 2415-80-7 , [2415-80-7]

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) 3.28 7.55 -2.85 0 0 0 0 187.069 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 105-106?/12mm Alfa-Aesar
BP 105-106°/12mm Oakwood Chemical
mp 116 - 117 MolMall (formerly Molecular Diversity Preservation International)

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Rings

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

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