UCSF

ZINC02886864

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2004 12 Yes

Popular Name: 3-bromo-4-ethoxybenzonitrile 3-bromo-4-ethoxybenzonitrile

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CAS Number: N/A

Other Names:

MFCD06631928

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) 2.86 1.95 -6.07 0 2 0 33 226.073 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0219143A1 IBM Patent Data

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