4-(Bromomethyl)-2H-1-benzopyran-2-one
Basic information
- CAS
82156-55-6- Standard SMILES
O=c1cc(CBr)c2ccccc2o1- InChIKey
JFDNDAIFYLKIBV-UHFFFAOYSA-N- Molecular formula
- C10H7BrO2
- Average molar mass
- 239.06 g/mol
- Monoisotopic mass
- 237.96294
Names & identifiers
- Preferred name
- 4-(Bromomethyl)-2H-1-benzopyran-2-one
- IUPAC
- 4-(bromomethyl)chromen-2-one
Names & synonyms
82156-55-64-(Bromomethyl)-2H-1-benzopyran-2-oneDTXSID10513398RefChem:288614DTXCID604642052H-1-Benzopyran-2-one, 4-(bromomethyl)-4-(bromomethyl)-2H-chromen-2-one4-bromomethylcoumarinSCHEMBL637265ALBB-036279AKOS040766869
Database identifiers
- CAS
82156-55-6- PubChem CID
- 12936136
- DTXSID
DTXSID10513398- Nikkaji
- J2.733.573J
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 247
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Compound notes
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