UCSF

ZINC09262845

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2007 13 No

Popular Name: 2-bromo-N-(3-methylphenyl)propanamide 2-bromo-N-(3-methylphenyl)propan…

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CAS Number: 630119-85-6

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) 2.64 5.46 -7.84 1 2 0 29 242.116 2 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
PUBCHEM_PATENT_ID EP0271975A1; EP0271975B1; US4888044 IBM Patent Data
Warnings IRRITANT Matrix Scientific

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