UCSF

ZINC00155729

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 13 Yes

Popular Name: 1-(4-Bromophenyl)pyrrolidin-2-one 1-(4-Bromophenyl)pyrrolidin-2-one

Find On: PubMed — Wikipedia — Google

CAS Numbers: 7661-32-7 , [7661-32-7]

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) 2.11 6.22 -8.81 0 2 0 20 240.1 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
melting_point 98 - 100 KeyOrganics
Mp [°C] 98 - 101 Acros Organics
Boiling_Point 98-101? Alfa-Aesar
Boiling_Point 98-101° Alfa-Aesar
MP 99 - 101 Enamine Building Blocks
MP 99...101 Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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