7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one
Basic information
- CAS
113251-20-0- Standard SMILES
Nc1ccc2c(Cl)c(OCCCBr)oc(=O)c2c1- InChIKey
FXUBMQXLZFGMFG-UHFFFAOYSA-N- Molecular formula
- C12H11BrClNO3
- Average molar mass
- 332.58 g/mol
- Monoisotopic mass
- 330.96108
Names & identifiers
- Preferred name
- 7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one
- IUPAC
- 7-amino-3-(3-bromopropoxy)-4-chloroisochromen-1-one
Names & synonyms
113251-20-0Isocoumarin, 6bCHEMBL153587SCHEMBL5904422BDBM81612DTXSID20567084FXUBMQXLZFGMFG-UHFFFAOYSA-N7-Amino-3-(3-bromopropoxy)-4-chloro-1H-2-benzopyran-1-one7-amino-3-(3-bromopropoxy)-4-chloro-1 h -isochromen-1-one7-Amino-3-(3-bromopropyloxy)-4-chloro-1H-2-benzopyran-1-one
Database identifiers
- CAS
113251-20-0- PubChem CID
- 15022013
- DTXSID
DTXSID20567084- ChEMBL
CHEMBL153587- Nikkaji
- J658.212E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…