UCSF

ZINC39331186

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 11 No

Popular Name: 4-(2-Bromoethyl)benzonitrile 4-(2-Bromoethyl)benzonitrile

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CAS Numbers: 72054-56-9 , [72054-56-9]

Other Names:

MFCD12025077

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) 2.61 7.05 -5.66 0 1 0 24 210.074 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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