6-Nitro-1,3-benzodioxol-5-yl acetate
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Basic information
- CAS
7107-08-6- Standard SMILES
CC(=O)Oc1cc2c(cc1[N+](=O)[O-])OCO2- InChIKey
DECGMUJJYLXRPA-UHFFFAOYSA-N- Molecular formula
- C9H7NO6
- Average molar mass
- 225.15 g/mol
- Monoisotopic mass
- 225.02733694
Names & identifiers
- Preferred name
- 6-Nitro-1,3-benzodioxol-5-yl acetate
- IUPAC
- (6-nitro-1,3-benzodioxol-5-yl) acetate
- English name
- (6-nitrobenzo[1,3]dioxol-5-yl) acetate
- Molecular formula
- C9H7NO6
- Molecular weight
- 225.15
Names & synonyms
6-nitro-1,3-benzodioxol-5-yl acetate7107-08-6DTXSID30281542RefChem:309148DTXCID902326966-Nitrobenzo[d][1,3]dioxol-5-yl acetate6-NITRO-2H-1,3-BENZODIOXOL-5-YL ACETATE(6-nitro-1,3-benzodioxol-5-yl) acetateMFCD07658172(6-NITROBENZO[1,3]DIOXOL-5-YL) ACETATE1,3-benzodioxol-5-ol, 6-nitro-, acetate (ester)NSC21910
Show more names
NSC 219101,3-Benzodioxol-5-ol, 6-nitro-, 5-acetate
SCHEMBL1852524SCHEMBL30402519DECGMUJJYLXRPA-UHFFFAOYSA-NALBB-024221NSC-21910STK736375AKOS0033882876-Nitrobenzo[d][1,3]dioxol-5-ylacetate
Database identifiers
- CAS
7107-08-6- PubChem CID
- 228784
- DTXSID
DTXSID30281542- Nikkaji
- J3.052.479I
Properties
Computed structural propertiesFilling in
- XLogP
- 1.3
- Topological polar surface area
- 90.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 301
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Related reactions
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Compound notes
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