UCSF

ZINC01606074

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 12 No

Popular Name: 4-Iodo-3-nitroanisole 4-Iodo-3-nitroanisole

Find On: PubMed — Wikipedia — Google

CAS Numbers: 58755-70-7 , 59215-44-0 , [58755-70-7]

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) 2.96 0.93 -7.37 0 4 0 55 279.033 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 57 - 61 Enamine Building Blocks
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
Melting_Point 60-63? Alfa-Aesar
Melting_Point 60-63° Alfa-Aesar
MP 61-62° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 97% Matrix Scientific
Purity 98% Fluorochem
Warnings IRRITANT, LIGHT SENSITIVE Matrix Scientific
Warnings Irritant/Light Sensitive Matrix Scientific

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