UCSF

ZINC01672847

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 8 Yes

Popular Name: 3-Iodotoluene 3-Iodotoluene

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CAS Number: 625-95-6

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) 3.44 0.69 -1.81 0 0 0 0 218.037 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 27 TCI
Melting_Point 27? Alfa-Aesar
Melting_Point 27° Alfa-Aesar
BP 213 TCI
Boiling_Point 80-82?/10mm Alfa-Aesar
BP 80-82°/10mm Matrix Scientific
Purity 98% Matrix Scientific
Purity 99% Fluorochem
Warnings IRRITANT Matrix Scientific
Warnings Irritant/Refrigerate Matrix Scientific

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

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