CAS 88404-25-5|4-(Bromomethyl)-6,7-dimethoxycoumarin|4-(bromomethyl)-6,7-dimethoxy-2H-chromen-2-one|4-(Bromomethyl)-6,7-dimethoxy-2-oxo-2H-chromene|4-(bromomethyl)-6,7-dimethoxychromen-2-one|4-(Brom...

General Information

Structure

Molecular Formula

C₁₂H₁₁BrO₄

Molecular Mass

299.11734

Exact Mass

297.98407083

Charge

InChI

InChI=1S/C12H11BrO4/c1-15-10-4-8-7(6-13)3-12(14)17-9(8)5-11(10)16-2/h3-5H,6H2,1-2H3

InChIKey

JGODLBJJCNQFII-UHFFFAOYSA-N

Canonic Smiles

COc1cc2c(CBr)cc(=O)oc2cc1OC

Isomeric Smiles

o1c2cc(c(cc2c(cc1=O)CBr)OC)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.0267277

LogD (pH = 7.4)

2.0267277

Log P

2.0267277

Molar Refractivity

66.5662

Polarizability

25.398357

Polar Surface Area

44.76

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

4-(Bromomethyl)-6,7-dimethoxycoumarin4-(Bromomethyl)-6,7-dimethoxy-2-oxo-2H-chromene4-(Bromomethyl)-6,7-dimethoxy-2H-chromen-2-one4-BROMOMETHYL-6,7-DIMETHOXYCOUMARIN4-Bromomethyl-6,7-dimethoxycoumarin4-溴甲基-6,7-二甲氧基香豆素4-(Bromomethyl)-6,7-dimethoxy-2H-1-benzopyran-2-one

IUPAC name

4-(bromomethyl)-6,7-dimethoxy-2H-chromen-2-one

IUPAC Traditional name

4-(bromomethyl)-6,7-dimethoxychromen-2-one

Names and Identifiers

Registration numbers

CAS Number

88404-25-5

MDL Number

MFCD00011570

Beilstein Number

4750487