UCSF

ZINC00057797

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2004 17 No

Popular Name: 4-BROMOMETHYL-6,7-DIMETHOXYCOUMARIN 4-BROMOMETHYL-6,7-DIMETHOXYCOUMARIN

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CAS Number: 88404-25-5

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) 2.27 2.04 -10.91 0 4 0 48 299.12 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 200-203? Alfa-Aesar
Melting_Point 200-203° Alfa-Aesar
MP 210.2-211.7o C Indofine
M.P 211-213 C Indofine
MP 214 TCI
SOLUBILITY Soluble in Chloroform Indofine
APPEARANCE Yellow fluffy powder Indofine

Activity (Go SEA)

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