NAPHTHO(2,1-b)FURAN, 9-BROMO-8-METHOXY-2-NITRO-
Basic information
- CAS
92802-63-6- Standard SMILES
COc1ccc2ccc3oc([N+](=O)[O-])cc3c2c1Br- InChIKey
CSDZACAPIMLEOW-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, 9-BROMO-8-METHOXY-2-NITRO-
- IUPAC
- 9-bromo-8-methoxy-2-nitrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 9-BROMO-8-METHOXY-2-NITRO-9-Bromo-8-methoxy-2-nitronaphtho(2,1-b)furan92802-63-69-Bromo-8-methoxy-2-nitronaphtho[2,1-b]furanR 7521BRN 55820662-Nitro-8-methoxy-9-bromonaphtho(2,1-b)furanCHEMBL266771DTXSID80239154
Database identifiers
- CAS
92802-63-6- PubChem CID
- 56493
- DTXSID
DTXSID80239154- ChEMBL
CHEMBL266771
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
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Compound notes
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