Basic information
- CAS
92802-61-4- Standard SMILES
COc1ccc2c(ccc3oc([N+](=O)[O-])cc32)c1Br- InChIKey
SHILELWYKIJMNT-UHFFFAOYSA-N- Molecular formula
- C13H8BrNO4
- Average molar mass
- 322.11 g/mol
- Monoisotopic mass
- 320.96367
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 6-BROMO-7-METHOXY-2-NITRO-
- IUPAC
- 6-bromo-7-methoxy-2-nitrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 6-BROMO-7-METHOXY-2-NITRO-6-Bromo-7-methoxy-2-nitronaphtho(2,1-b)furan92802-61-46-Bromo-7-methoxy-2-nitronaphtho[2,1-b]furanR 7523BRN 55807832-Nitro-6-bromo-7-methoxynaphtho(2,1-b)furanCHEMBL7448DTXSID60239152
Database identifiers
- CAS
92802-61-4- PubChem CID
- 56491
- DTXSID
DTXSID60239152- ChEMBL
CHEMBL7448
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 361
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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