UCSF

ZINC01687029

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Substance Information

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

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

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CAS Numbers: 89-58-7 , [89-58-7]

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 6.51 -6.76 0 3 0 46 151.165 1 ↓

Vendor Notes

Note Type Comments Provided By
BP 104 / 6 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Purity 99% APIChem
Warnings IRRITANT Matrix Scientific

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