UCSF

ZINC05075283

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 19th, 2006 12 Yes

Popular Name: 4-(4-fluorophenyl)-1H-imidazole 4-(4-fluorophenyl)-1H-imidazole

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CAS Numbers: 1221724-61-3 , 65020-70-4

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) 1.76 5.78 -8.75 1 2 0 29 162.167 1 ↓
Mid Mid (pH 6-8) 1.76 6.24 -39.49 2 2 1 30 163.175 1 ↓
Mid Mid (pH 6-8) 1.76 6.26 -39.49 2 2 1 30 163.175 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 124-129? Alfa-Aesar
Melting_Point 124-129° Alfa-Aesar
Melting_Point 127-131? Alfa-Aesar
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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