Basic information
- CAS
86539-67-5- Standard SMILES
Cc1c([N+](=O)[O-])oc2ccc3ccccc3c12- InChIKey
CVUUOLKFENQCEZ-UHFFFAOYSA-N- Molecular formula
- C13H9NO3
- Average molar mass
- 227.21 g/mol
- Monoisotopic mass
- 227.05824315
Names & identifiers
- Preferred name
- NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-
- IUPAC
- 1-methyl-2-nitrobenzo[e][1]benzofuran
Names & synonyms
NAPHTHO(2,1-b)FURAN, 1-METHYL-2-NITRO-86539-67-51-methyl-2-nitronaphtho[2,1-b]furan1-Methyl-2-nitronaphtho(2,1-b)furanCHEMBL6980NSC373980BRD-K28456706NSC-3739801-Methyl-2-nitro-naphtho[2,1-b]furanR 7371NSC 373980BRN 5037897
Show more names
YHG3HHW4JFSCHEMBL16001172DTXSID502356481-methyl-2-nitro-benzo[e]benzofuranBDBM50304338NCI60_003503R-7371
Database identifiers
- CAS
86539-67-5- PubChem CID
- 55508
- DTXSID
DTXSID50235648- ChEMBL
CHEMBL6980- UNII
- YHG3HHW4JF
- Nikkaji
- J548.000K
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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