7-Methoxy-1-methyl-2-nitronaphtho(2,1-b)furan
Basic information
- CAS
86539-71-1- Standard SMILES
COc1ccc2c(ccc3oc([N+](=O)[O-])c(C)c32)c1- InChIKey
CRJXXSSTSDKPEJ-UHFFFAOYSA-N- Molecular formula
- C14H11NO4
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.06880783
Overview
structure given in first source
Names & identifiers
- Preferred name
- 7-Methoxy-1-methyl-2-nitronaphtho(2,1-b)furan
- IUPAC
- 7-methoxy-1-methyl-2-nitrobenzo[e][1]benzofuran
- English name
- 7-methoxy-1-methyl-2-nitronaphtho(2,1-b)furan
- Molecular formula
- C14H11NO4
- Molecular weight
- 257.24
Names & synonyms
86539-71-17-METHOXY-1-METHYL-2-NITRONAPHTHO[2,1-B]FURAN7-Methoxy-1-methyl-2-nitronaphtho(2,1-b)furanDTXSID20235650R-7372RefChem:106271DTXCID50158141BRN 50623747-methoxy-1-methyl-2-nitrobenzo[e][1]benzofuranR 73721-Methyl-2-nitro-7-methoxynaphtho(2,1-b)furanCHEMBL7196
Show more names
7-METHOXY-1-METHYL-2-NITRO-NAPHTHOFURANNaphtho[2,1-b]furan, 7-methoxy-1-methyl-2-nitro-
NAPHTHO(2,1-b)FURAN, 7-METHOXY-1-METHYL-2-NITRO-
Database identifiers
- CAS
86539-71-1- PubChem CID
- 55510
- DTXSID
DTXSID20235650- ChEMBL
CHEMBL7196- Nikkaji
- J719.978C
Properties
Computed structural properties
- XLogP
- 4.1
- 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
- 356
Physicochemical properties
- Boiling point
- 400.49 °C · 400.49°C (rough estimate)
- Density
- 1.2471 · 1.2471 (rough estimate)
- refractive index
- 1.578 · 1.5780 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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