UCSF

ZINC01693954

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 1,2-Dimethyl-4-nitrobenzene 1,2-Dimethyl-4-nitrobenzene

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CAS Numbers: 99-51-4 , [99-51-4]

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) 2.72 6.43 -6.44 0 3 0 46 151.165 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 255-257? Alfa-Aesar
Boiling_Point 255-257° Alfa-Aesar
Melting_Point 27-31? Alfa-Aesar
Melting_Point 27-31° Alfa-Aesar
MP 29 - 31 Enamine Building Blocks
MP 29...31 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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