UCSF

ZINC02560447

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 12 No

Popular Name: 4-Ethoxyphenyl isocyanate 4-Ethoxyphenyl isocyanate

Find On: PubMed — Wikipedia — Google

CAS Numbers: 32459-62-4 , [32459-62-4]

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) 2.20 1.11 -3.09 0 3 0 39 163.176 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 235? Alfa-Aesar
Boiling_Point 235° Alfa-Aesar
BP 85 / 5 TCI
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.