Basic information
- CAS
95454-95-8- Standard SMILES
Cc1c([N+](=O)[O-])oc2ccc3cc(Br)ccc3c12- InChIKey
JUTVQFUCVFGEPL-UHFFFAOYSA-N- Molecular formula
- C13H8BrNO3
- Average molar mass
- 306.11 g/mol
- Monoisotopic mass
- 304.96876
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 7-BROMO-1-METHYL-2-NITRO-
- IUPAC
- 7-bromo-1-methyl-2-nitrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 7-BROMO-1-METHYL-2-NITRO-95454-95-87-Bromo-1-methyl-2-nitronaphtho(2,1-b)furanR 74707-BROMO-1-METHYL-2-NITRONAPHTHO[2,1-B]FURANBRN 55567381-Methyl-2-nitro-7-bromonaphtho(2,1-b)furanCHEMBL7080DTXSID90241849
Database identifiers
- CAS
95454-95-8- PubChem CID
- 56908
- DTXSID
DTXSID90241849- ChEMBL
CHEMBL7080
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 346
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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