UCSF

ZINC02576839

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 21 Yes

Popular Name: 3(4'-Bromophenyl)-6-Chloro-4,7-Dimethylcoumarin 3(4'-Bromophenyl)-6-Chloro-4,7-D…

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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) 5.95 2.53 -8.5 0 2 0 30 363.638 1 ↓

Vendor Notes

Note Type Comments Provided By
M.P 192-193 C Indofine
MP 192-193o C Indofine
APPEARANCE Pale yellow crystalline solid Indofine
SOLUBILITY Soluble in DMF, hot Acetic acid Indofine

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Rings

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

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