UCSF

ZINC08220699

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 4 No

Popular Name: chloroacetaldehyde chloroacetaldehyde

Find On: PubMed — Wikipedia — Google

CAS Numbers: 107-20-0 , 13064-50-1

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) 0.74 1.13 -4.53 0 1 0 17 78.498 1 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 28? Alfa-Aesar
Melting_Point 28° Alfa-Aesar
UniProt Database Links 4FTAS_STRCT; ALDB_ECOLI ChEBI
Boiling_Point 80-100? Alfa-Aesar
Boiling_Point 80-100° Alfa-Aesar
Patent Database Links EP0926140; EP0990656; US2002187068; US2007196906 ChEBI

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

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