Basic information
- CAS
2199-85-1- Standard SMILES
O=C(c1ccccc1)c1cc2cc(Br)ccc2oc1=O- InChIKey
OXSWLSMWLZZECK-UHFFFAOYSA-N- Molecular formula
- C16H9BrO3
- Average molar mass
- 329.14 g/mol
- Monoisotopic mass
- 327.97351
Names & identifiers
- Preferred name
- 2H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-
- IUPAC
- 3-benzoyl-6-bromochromen-2-one
- English name
- 3-Benzoyl-6-broMochroMen-2-one
- Molecular formula
- C16H9BrO3
- Molecular weight
- 329.14486
Names & synonyms
2199-85-12H-1-Benzopyran-2-one, 3-benzoyl-6-bromo-DTXSID30357736RefChem:268157DTXCID803087933-benzoyl-6-bromo-2H-chromen-2-one3-benzoyl-6-bromochromen-2-one3-Benzoyl-6-bromo-2H-1-benzopyran-2-oneOprea1_453170CHEMBL591524SCHEMBL2038036STL145337
Show more names
AKOS005746351CCG-324818NS-00092DB-365950CS-03483606-bromo-3-(phenylcarbonyl)-2H-chromen-2-oneH81717F742351
Database identifiers
- CAS
2199-85-1- PubChem CID
- 866321
- DTXSID
DTXSID30357736- ChEMBL
CHEMBL591524- Nikkaji
- J3.033.846D
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 43.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 437
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
天津希恩思生化科技有限公司400-6387771-6039 18920764717 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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