UCSF

ZINC12956304

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2008 14 Yes

Popular Name: 4-Bromo-N-phenylaniline 4-Bromo-N-phenylaniline

Find On: PubMed — Wikipedia — Google

CAS Numbers: 54446-36-5 , [54446-36-5]

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) 4.74 7.46 -2.87 1 1 0 12 248.123 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID US5543298 IBM Patent Data

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