chempirical

4-Bromomethyl-7-methoxycoumarin

C11H9BrO3CAS 35231-44-8269.09 g/mol

Open in Covalent MOL file
OBrOO
Alkyl halideEther

Properties

Molecular formula
C11H9BrO3
Molar mass
269.09 g/mol
Exact mass
267.9735 Da
Melting point
204 °C
logP
2.70Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
2

Identifiers

CAS number
35231-44-8
SMILES
COc1ccc2c(CBr)cc(=O)oc2c1
InChIKey
CTENSLORRMFPDH-UHFFFAOYSA-N
InChI
InChI=1S/C11H9BrO3/c1-14-8-2-3-9-7(6-12)4-11(13)15-10(9)5-8/h2-5H,6H2,1H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

7 names
  • 2H-1-Benzopyran-2-one, 4-(bromomethyl)-7-methoxy-
  • 4-(Bromomethyl)-7-methoxy-2H-1-benzopyran-2-one
  • 4-Bromomethyl-7-methoxy-2-oxo-2H-benzopyran
  • 7-Methoxy-4-(bromomethyl)coumarin
  • 4-(Bromomethyl)-7-methoxy-2H-chromen-2-one
  • 4-(Bromomethyl)-7-methoxy-2H-chromene-2-one
  • 4-(Bromomethyl)-7-methoxychromen-2-one

Work with 4-Bromomethyl-7-methoxycoumarin

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

7-Methoxycoumarin-4-acetic acid62935-72-264 % similar 7-Methoxy-4-methylcoumarin2555-28-462 % similar Herniarin531-59-952 % similar Citropten487-06-952 % similar 2-Bromo-5-methoxybenzyl bromide19614-12-148 % similar 7-Ethoxy-4-methylcoumarin87-05-845 % similar Bergapten484-20-844 % similar 6,7-Dimethoxy-4-methyl-2H-1-benzopyran-2-one4281-40-740 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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