8-Nitropyreno(2,1-b)furan

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Basic information

CAS: 96918-27-3
Standard SMILES: O=[N+]([O-])c1cc2c(cc3ccc4cccc5ccc2c3c45)o1
InChIKey: WHFLEYTWERSAMD-UHFFFAOYSA-N
Molecular formula: C18H9NO3
Average molar mass: 287.3 g/mol
Monoisotopic mass: 287.05824315

Names & identifiers

Preferred name: 8-Nitropyreno(2,1-b)furan
IUPAC: 4-nitro-5-oxapentacyclo[9.6.2.02,6.08,18.015,19]nonadeca-1(18),2(6),3,7,9,11(19),12,14,16-nonaene

Names & synonyms

Pyreno(2,1-b)furan, 8-nitro-8-Nitropyreno(2,1-b)furanWQV76BL4QK8-nitropyreno[2,1-b]furanNITRO-8 PYRENOFURANNEDTXSID60242641R-7691RefChem:199260DTXCID9016513296918-27-3CCRIS 2199R 7691

Show more names

BRN 4506732UNII-WQV76BL4QKCHEMBL267206

Database identifiers

CAS: 96918-27-3
PubChem CID: 160334
DTXSID: DTXSID60242641
ChEMBL: CHEMBL267206
UNII: WQV76BL4QK

Properties

Computed structural properties

XLogP: 5.6
Topological polar surface area: 59 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 22
Formal charge: 0
Complexity: 475

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Compound notes

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