Furan, 2-methyl-5-nitro-
Basic information
- CAS
823-74-5- Standard SMILES
Cc1ccc([N+](=O)[O-])o1- InChIKey
VOBFYAXUVBEUGM-UHFFFAOYSA-N- Molecular formula
- C5H5NO3
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.02694302
Names & identifiers
- Preferred name
- Furan, 2-methyl-5-nitro-
- IUPAC
- 2-methyl-5-nitrofuran
- English name
- 5-Nitro-2-methylfuran
- Molecular formula
- C5H5NO3
- Molecular weight
- 127.1
Names & synonyms
2-Methyl-5-nitrofuranFURAN, 2-METHYL-5-NITRO-5-Nitro-2-methylfuranNSC 6453BRN 0003115DTXSID802316735-17-01-00324 (Beilstein Handbook Reference)RefChem:141740DTXCID10154164InChI=1/C5H5NO3/c1-4-2-3-5(9-4)6(7)8/h2-3H,1H823-74-5Furan,2-methyl-5-nitro-
Show more names
2-methyl-5-nitro-furanNSC-6453MFCD01726003NSC64532SNN3XQ8XZMethyl-5-nitrofuran, 2-SCHEMBL660976SCHEMBL660977
Database identifiers
- CAS
823-74-5- PubChem CID
- 13206
- DTXSID
DTXSID80231673- UNII
- 2SNN3XQ8XZ
- EC Number
- 104-469-3
- Nikkaji
- J853B
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 59 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 120
Physicochemical properties
- Melting point
- 42.5 · 42.5-43.5 °C
- Boiling point
- 104 °C · 104 °C
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- FDA UNII
- 2 SNN3XQ8XZ · 2SNN3XQ8XZ
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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