UCSF

ZINC00036425

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 12 No

Popular Name: 1-methyl-4-(2-nitrovinyl)benzene 1-methyl-4-(2-nitrovinyl)benzene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 5153-68-4 , 7559-36-6 , [5153-68-4] , [7559-36-6]

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) 2.55 2.72 -6.11 0 3 0 46 163.176 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 100 - 102 Enamine Building Blocks
Melting_Point 100-104? Alfa-Aesar
Melting_Point 100-104° Alfa-Aesar
MP 100...102 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 98% Fluorochem

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