UCSF

ZINC01669834

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 11 No

Popular Name: 3-Chloropropiophenone 3-Chloropropiophenone

Find On: PubMed — Wikipedia — Google

CAS Numbers: 936-59-4 , [936-59-4]

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) 2.34 1.4 -5.43 0 1 0 17 168.623 3 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 113-115?/4mm Alfa-Aesar
Boiling_Point 113-115°/4mm Alfa-Aesar
BP 147 / 14 TCI
Melting_Point 46-50? Alfa-Aesar
Melting_Point 46-50° Alfa-Aesar
MP 48 TCI
MP 48 - 50 Enamine Building Blocks
MP 48...50 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 96% Fluorochem
PUBCHEM_PATENT_ID EP0790974A1 IBM Patent Data

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