NAPHTHO(2,3-b)FURAN, 5,6,7,8-TETRAHYDRO-2-NITRO-
Basic information
- CAS
86295-47-8- Standard SMILES
O=[N+]([O-])c1cc2cc3c(cc2o1)CCCC3- InChIKey
BNQPTFQOHJEFLV-UHFFFAOYSA-N- Molecular formula
- C12H11NO3
- Average molar mass
- 217.22 g/mol
- Monoisotopic mass
- 217.07389321
Names & identifiers
- Preferred name
- NAPHTHO(2,3-b)FURAN, 5,6,7,8-TETRAHYDRO-2-NITRO-
- IUPAC
- 2-nitro-5,6,7,8-tetrahydrobenzo[f][1]benzofuran
Names & synonyms
NAPHTHO(2,3-b)FURAN, 5,6,7,8-TETRAHYDRO-2-NITRO-86295-47-82-Nitro-5,6,7,8-tetrahydronaphtho(2,3-b)furan2-Nitro-5,6,7,8-tetrahydronaphtho[2,3-b]furanR 7333BRN 50328125,6,7,8-Tetrahydro-2-nitronaphtho(2,3-b)furanCHEMBL266051DTXSID20235478
Database identifiers
- CAS
86295-47-8- PubChem CID
- 55485
- DTXSID
DTXSID20235478- ChEMBL
CHEMBL266051- Nikkaji
- J548.012D
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 288
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Related reactions
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Compound notes
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