Basic information
- CAS
5407-68-1- Standard SMILES
CC(=O)OCc1ccc([N+](=O)[O-])o1- InChIKey
PCMLAOQXILPCIL-UHFFFAOYSA-N- Molecular formula
- C7H7NO5
- Average molar mass
- 185.13 g/mol
- Monoisotopic mass
- 185.03242232
Names & identifiers
- Preferred name
- 5-Nitrofurfuryl acetate
- IUPAC
- (5-nitrofuran-2-yl)methyl acetate
- English name
- 5-nitrofurfuryl acetate
- Molecular formula
- C7H7NO5
- Molecular weight
- 185.13418
Names & synonyms
5-Nitrofurfuryl acetate5407-68-1UNII-5I2X1D2NE35I2X1D2NE32-Furanmethanol, 5-nitro-, acetate (ester)NSC-6462EINECS 226-469-35-nitro-2-furfuryl acetateAI3-23605DTXSID90202399NSC 6462FURFURYL ALCOHOL, 5-NITRO-, ACETATE
Show more names
5-nitrofurfural acetate
2-FURANMETHANOL, 5-NITRO-, 2-ACETATEFURFURYL ALCOHOL, 5-NITRO-, ACETATE (ESTER)RefChem:103265DTXCID40124890226-469-3(5-nitrofuran-2-yl)methyl acetateNifuratel Impurity 16SCHEMBL436082
Database identifiers
- CAS
5407-68-1- PubChem CID
- 79412
- DTXSID
DTXSID90202399- UNII
- 5I2X1D2NE3
- EC Number
- 226-469-3
- Nikkaji
- J37.046K
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 85.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 211
Physicochemical properties
- FDA UNII
- 5 I2X1D2NE3 · 5I2X1D2NE3
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers3 total
湖北摩科化学有限公司18627753421; 18627756402 · [email protected]
南京宁吉通医药生物科技有限公司0-19710401727 19710401727 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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