UCSF

ZINC00389582

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: 1-CHLORO-2,4-DIFLUOROBENZENE 1-CHLORO-2,4-DIFLUOROBENZENE

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1435-44-5 , [1435-44-5]

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) 2.87 5.12 -2.57 0 0 0 0 148.539 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 26 TCI
Melting_Point 26? Alfa-Aesar
Melting_Point 26° Alfa-Aesar
Boiling_Point 126-127? Alfa-Aesar
Boiling_Point 126-127° Alfa-Aesar
BP 127 TCI
BP 127-128° Matrix Scientific
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
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.