7-Isothiocyanato-2-nitronaphtho(2,1-b)furan
Basic information
- CAS
125372-43-2- Standard SMILES
O=[N+]([O-])c1cc2c(ccc3cc(N=C=S)ccc32)o1- InChIKey
VLTVCYQMCFCYBJ-UHFFFAOYSA-N- Molecular formula
- C13H6N2O3S
- Average molar mass
- 270.27 g/mol
- Monoisotopic mass
- 270.00991323
Names & identifiers
- Preferred name
- 7-Isothiocyanato-2-nitronaphtho(2,1-b)furan
- IUPAC
- 7-isothiocyanato-2-nitrobenzo[e][1]benzofuran
Names & synonyms
7-Isothiocyanato-2-nitronaphtho(2,1-b)furan125372-43-2Naphtho(2,1-b)furan, 7-isothiocyanato-2-nitro-7-ISOTHIOCYANATO-2-NITRONAPHTHO[2,1-B]FURANDTXSID60154750
Database identifiers
- CAS
125372-43-2- PubChem CID
- 147884
- DTXSID
DTXSID60154750
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 103 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
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Compound notes
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