UCSF

ZINC01672846

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: 2-Iodotoluene 2-Iodotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 615-37-2 , [615-37-2]

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) 3.42 0.71 -1.98 0 0 0 0 218.037 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 210-212? Alfa-Aesar
Boiling_Point 210-212° Alfa-Aesar
BP [°C] 211 Acros Organics
BP 211° Matrix Scientific
Purity 98% Matrix Scientific
Warnings IRRITANT Matrix Scientific
S phrase S24/25: Avoid contact with skin and eyes. Acros Organics

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

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