UCSF

ZINC02242674

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 13 No

Popular Name: 2,5-Dimethoxyphenyl isocyanate 2,5-Dimethoxyphenyl isocyanate

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CAS Numbers: 56309-62-7 , [56309-62-7]

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) 1.81 1.2 -6.09 0 4 0 48 179.175 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 152-154?/26mm Alfa-Aesar
Boiling_Point 152-154°/26mm Alfa-Aesar
Melting_Point 38-42? Alfa-Aesar
Melting_Point 38-42° Alfa-Aesar
MP 40-42° Matrix Scientific
Warnings IRRITANT Matrix Scientific
Warnings Toxic/Refrigerate Matrix Scientific

Activity (Go SEA)

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

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