Basic information
- Standard SMILES
Cc1c(-c2ccccc2)oc2c(C(=O)OCCCBr)cccc2c1=O- InChIKey
GIAXIYZWZIDTPK-UHFFFAOYSA-N- Molecular formula
- C20H17BrO4
- Average molar mass
- 401.2 g/mol
Names & identifiers
- Preferred name
- 8-(3-bromopropoxycarbonyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
- IUPAC
- 3-bromopropyl 3-methyl-4-oxo-2-phenylchromene-8-carboxylate
Names & synonyms
SCHEMBL8874937GIAXIYZWZIDTPK-UHFFFAOYSA-N8-(3-bromopropoxycarbonyl)-3-methyl-4-oxo-2-phenyl-4H-1-benzopyran
Database identifiers
- PubChem CID
- 19972645
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 536
Related reactions
7 records
Compound notes
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