UCSF

ZINC00157129

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 11 Yes

Popular Name: 3'-Chloro-4'-fluoroacetophenone 3'-Chloro-4'-fluoroacetophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 2923-66-2 , [2923-66-2]

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) 2.61 2.22 -8.13 0 1 0 17 172.586 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 126-127?/15mm Alfa-Aesar
Boiling_Point 126-127°/15mm Alfa-Aesar
BP 126-128°/15mm Matrix Scientific
Melting_Point 36-42? Alfa-Aesar
Melting_Point 36-42° Alfa-Aesar
MP 40 - 42 Enamine Building Blocks
MP 40-42° Matrix Scientific
MP 40...42 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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