UCSF

ZINC04283572

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 13 No

Popular Name: 2-(4-(Bromomethyl)phenyl)propanoic acid 2-(4-(Bromomethyl)phenyl)propano…

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CAS Numbers: 111128-12-2 , 7398-42-7 , [111128-12-2]

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) 2.87 0.75 -47.83 0 2 -1 40 242.092 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 125 TCI
MP 125 - 130 Enamine Building Blocks
MP 125...130 Enamine Building Blocks
Melting_Point 126-130? Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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