Basic information
- CAS
95454-92-5- Standard SMILES
CC(C)c1c([N+](=O)[O-])oc2ccc3ccccc3c12- InChIKey
CMLAIHVKEIKZFF-UHFFFAOYSA-N- Molecular formula
- C15H13NO3
- Average molar mass
- 255.27 g/mol
- Monoisotopic mass
- 255.08954328
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 1-(1-METHYLETHYL)-2-NITRO-
- IUPAC
- 2-nitro-1-propan-2-ylbenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 1-(1-METHYLETHYL)-2-NITRO-95454-92-5R 7501BRN 55628151-Isopropyl-2-nitronaphtho(2,1-b)furan1-(1-Methylethyl)-2-nitronaphtho(2,1-b)furanCHEMBL268163DTXSID302418482-Nitro-1-(propan-2-yl)naphtho[2,1-b]furan
Database identifiers
- CAS
95454-92-5- PubChem CID
- 56907
- DTXSID
DTXSID30241848- ChEMBL
CHEMBL268163
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 352
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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