UCSF

ZINC02242590

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2004 9 Yes

Popular Name: 4-Chloro-2-fluorotoluene 4-Chloro-2-fluorotoluene

Find On: PubMed — Wikipedia — Google

CAS Numbers: 452-75-5 , [452-75-5]

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 5.72 -2.55 0 0 0 0 144.576 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 158-160? Alfa-Aesar
Boiling_Point 158-160° Alfa-Aesar
BP 158°/743mm Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% APIChem
Purity 99% Matrix Scientific
Warnings FLAMMABLE Matrix Scientific

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

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