UCSF

ZINC02512526

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 9 Yes

Popular Name: 4-Chloro-3-Fluorotoluene 4-Chloro-3-Fluorotoluene

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CAS Numbers: 5527-94-6 , [5527-94-6]

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) 3.16 5.73 -3.46 0 0 0 0 144.576 0 ↓

Vendor Notes

Note Type Comments Provided By
BP 157-158° Oakwood Chemical
Purity 95+% Matrix Scientific
Purity 98% Fluorochem
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.