Basic information
- CAS
139884-17-6- Standard SMILES
COCOCc1ccc([N+](=O)[O-])cc1- InChIKey
WDAZNWDQLWNNKJ-UHFFFAOYSA-N- Molecular formula
- C9H11NO4
- Average molar mass
- 197.19 g/mol
- Monoisotopic mass
- 197.06880783
Names & identifiers
- Preferred name
- Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-
- IUPAC
- 1-(methoxymethoxymethyl)-4-nitrobenzene
Names & synonyms
139884-17-6Benzene, 1-[(methoxymethoxy)methyl]-4-nitro-1-[(METHOXYMETHOXY)METHYL]-4-NITROBENZENESCHEMBL15114767DTXSID90466494
Database identifiers
- CAS
139884-17-6- PubChem CID
- 11458264
- DTXSID
DTXSID90466494- Nikkaji
- J1.485.685D
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 64.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 172
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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