Basic information
- CAS
72478-67-2- Standard SMILES
C=C(Br)COc1ccc2c(C)cc(=O)oc2c1- InChIKey
SIEZLKYPPOEGKM-UHFFFAOYSA-N- Molecular formula
- C13H11BrO3
- Average molar mass
- 295.13 g/mol
- Monoisotopic mass
- 293.98915631
Names & identifiers
- Preferred name
- 7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one
- IUPAC
- 7-(2-bromoprop-2-enoxy)-4-methylchromen-2-one
Names & synonyms
7-[(2-bromoallyl)oxy]-4-methyl-2H-chromen-2-one72478-67-2NSC379398CHEMBL1968586SCHEMBL11432529DTXSID60321642SIEZLKYPPOEGKM-UHFFFAOYSA-NNSC-3793984-methyl-7-(2'-bromoallyloxy) coumarinNCI60_0035747-[(2-Bromoprop-2-en-1-yl)oxy]-4-methyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
72478-67-2- PubChem CID
- 342449
- DTXSID
DTXSID60321642- ChEMBL
CHEMBL1968586
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 362
Related reactions
2 records
Compound notes
Loading…