3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate
Basic information
- CAS
308299-28-7- Standard SMILES
O=C(Oc1ccc2c(=O)c(Oc3ccccc3Br)coc2c1)c1ccc([N+](=O)[O-])cc1- InChIKey
MSKKBLAVFQGDSU-UHFFFAOYSA-N- Molecular formula
- C22H12BrNO7
- Average molar mass
- 482.2 g/mol
- Monoisotopic mass
- 480.97971
Names & identifiers
- Preferred name
- 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate
- IUPAC
- [3-(2-bromophenoxy)-4-oxochromen-7-yl] 4-nitrobenzoate
- English name
- 3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate
- Molecular formula
- C22H12BrNO7
- Molecular weight
- 482.24
Names & synonyms
3-(2-bromophenoxy)-4-oxo-4H-chromen-7-yl 4-nitrobenzoate308299-28-7[3-(2-bromophenoxy)-4-oxochromen-7-yl] 4-nitrobenzoateOprea1_070510STK857716AKOS002263180ST50184853AP-906/409281503-(2-bromophenoxy)-4-oxochromen-7-yl 4-nitrobenzoate4H-1-Benzopyran-4-one, 3-(2-bromophenoxy)-7-[(4-nitrobenzoyl)oxy]-
Database identifiers
- CAS
308299-28-7- PubChem CID
- 992343
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 728
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Compound notes
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