Basic information
- CAS
59820-83-6- Standard SMILES
Cc1cc2c(cc1[N+](=O)[O-])OCCO2- InChIKey
IOIVECGQHFGMMC-UHFFFAOYSA-N- Molecular formula
- C9H9NO4
- Average molar mass
- 195.17 g/mol
- Monoisotopic mass
- 195.05315777
Overview
6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine is a benzodioxine.
Names & identifiers
- Preferred name
- 1,4-Benzodioxan, 7-methyl-6-nitro-
- IUPAC
- 7-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine
- English name
- 7-Methyl-6-nitro-1,4-benzodioxane
- Molecular formula
- C9H9NO4
- Molecular weight
- 195.17
Names & synonyms
59820-83-61,4-BENZODIOXAN, 7-METHYL-6-NITRO-7-Methyl-6-nitro-1,4-benzodioxan6-Nitro-3,4-(ethylenedioxy)tolueneBRN 1373683DTXSID902085535-19-01-00453 (Beilstein Handbook Reference)NSC 162115RefChem:220073DTXCID401310447-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine7-Methyl-6-nitro-1,4-benzodioxane
Show more names
1,4-Benzodioxin, 2,3-dihydro-6-methyl-7-nitro-6-Methyl-7-nitro-2,3-dihydrobenzo[b][1,4]dioxine
6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxineNSC162115Maybridge1_002178Oprea1_085576SCHEMBL5977699HMS547K22CHEBI:183734IOIVECGQHFGMMC-UHFFFAOYSA-N
Database identifiers
- CAS
59820-83-6- PubChem CID
- 43087
- DTXSID
DTXSID90208553- ChEBI
CHEBI:183734- Nikkaji
- J71.451H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 227
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers1 total
南京凯姆铂医药科技有限公司025-66162170
Additional notes
DefinitionChEBI: 6-methyl-7-nitro-2,3-dihydro-1,4-benzodioxine is a benzodioxine.
Related reactions
3 records
Compound notes
Loading…