Basic information
- CAS
18761-32-5- Standard SMILES
O=[N+]([O-])c1cccc2ccoc12- InChIKey
UWXIRVOEHNPCEV-UHFFFAOYSA-N- Molecular formula
- C8H5NO3
- Average molar mass
- 163.13 g/mol
- Monoisotopic mass
- 163.02694302
Names & identifiers
- Preferred name
- 7-Nitrobenzofuran
- IUPAC
- 7-nitro-1-benzofuran
- English name
- Benzofuran, 7-nitro-
- Molecular formula
- C8H5NO3
- Molecular weight
- 163.13
Names & synonyms
7-nitrobenzofuran18761-32-5DTXSID90461166RefChem:311132DTXCID504119857-Nitro-1-benzofuranBenzofuran, 7-nitro-SCHEMBL3276135SCHEMBL16288447SCHEMBL28710049UWXIRVOEHNPCEV-UHFFFAOYSA-NDB-318341
Show more names
Benzofuran, 7-nitro-
EN300-1165275
Database identifiers
- CAS
18761-32-5- PubChem CID
- 11286638
- DTXSID
DTXSID90461166- Nikkaji
- J2.216.232B
Properties
Computed structural properties
- XLogP
- 2.2
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Melting point
- 96 · 96-97 °C
- Boiling point
- 273.1 · 273.1±13.0 °C(Predicted)
- Density
- 1.38 · 1.380±0.06 g/cm3(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
上海安米克化学品有限公司微信 17321281695 18019252918 · [email protected]
上海奈亦斯生物科技有限公司18321139117 · [email protected]
ATK CHEMICAL COMPANY LIMITED+undefined-21-51877795 · [email protected]
上海固帮新材料科技有限公司021-51317962 · [email protected]
北京珐默兹医药科技有限公司15811073878 · [email protected]
Related reactions
7 records
Compound notes
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