UCSF

ZINC00247037

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 Yes

Popular Name: 4-BENZOYLPYRIDINE 4-BENZOYLPYRIDINE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 14548-46-0 , 72034-25-4 , [14548-46-0]

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) 2.10 6.02 -7.15 0 2 0 30 183.21 2 ↓

Vendor Notes

Note Type Comments Provided By
BP 130 / 1 TCI
Boiling_Point 130-131?/1mm Alfa-Aesar
Boiling_Point 130-131°/1mm Alfa-Aesar
mp 186 MolMall (formerly Molecular Diversity Preservation International)
BP [°C] 315 Acros Organics
Mp [°C] 68 - 72 Acros Organics
MP 69 - 71 Enamine Building Blocks
Melting_Point 69-71? Alfa-Aesar
Melting_Point 69-71° Alfa-Aesar
MP 69...71 Enamine Building Blocks
MP 72 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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