UCSF

ZINC00164628

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 9 Yes

Popular Name: 1-Chloro-2,5-difluorobenzene 1-Chloro-2,5-difluorobenzene

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CAS Number: 2367-91-1

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) 2.87 5.13 -2.6 0 0 0 0 148.539 0 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 126-128? Alfa-Aesar
BP 126-128° Matrix Scientific
Purity 98% Matrix Scientific
Warnings Flammable Matrix Scientific
Warnings IRRITANT, FLAMMABLE Matrix Scientific
PUBCHEM_PATENT_ID US6022884; WO1999024404A1; WO2000031032A1 IBM Patent Data

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

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