UCSF

ZINC00091993

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 1-(benzyloxy)-4-nitrobenzene 1-(benzyloxy)-4-nitrobenzene

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CAS Numbers: , 1145-76-2

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) 3.55 1.91 -7.38 0 4 0 55 229.235 4 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks
MP 92 - 94 Enamine Building Blocks
MP 92...94 Enamine Building Blocks
purity 95 Enamine Building Blocks
Purity 98% Fluorochem
PUBCHEM_PATENT_ID EP1016670A1; US5840684; US5843889 IBM Patent Data

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