UCSF

ZINC00057931

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 14 No

Popular Name: 6-chloro-4-oxo-4H-chromene-3-carbaldehyde 6-chloro-4-oxo-4H-chromene-3-car…

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CAS Numbers: 42248-31-7 , 51991-94-7 , [42248-31-7]

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) 2.19 2.16 -8.54 0 3 0 47 208.6 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P. 166-168 C Indofine
MP 166-168o C Indofine
melting_point 168 - 171 KeyOrganics
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE Wheat color shining powder Indofine

Activity (Go SEA)

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

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