Basic information
- CAS
6510-90-3- Standard SMILES
COc1ccc(-c2ccc(OC)c(OC)c2OC)c([N+](=O)[O-])c1- InChIKey
FMKXKFXUJQNAHC-UHFFFAOYSA-N- Molecular formula
- C16H17NO6
- Average molar mass
- 319.31 g/mol
- Monoisotopic mass
- 319.10558726
Names & identifiers
- Preferred name
- 1,2,3-Trimethoxy-4-(4-methoxy-2-nitrophenyl)benzene
- IUPAC
- 1,2,3-trimethoxy-4-(4-methoxy-2-nitrophenyl)benzene
Names & synonyms
6510-90-3CHEMBL317791,2,3-trimethoxy-4-(4-methoxy-2-nitrophenyl)benzeneNSC991412,3,4,4'-tetramethoxy-2'-nitro-1,1'-biphenylDTXSID20294989BDBM50099940NSC-991412,3,4,4''-Tetramethoxy-2''-nitro-biphenyl
Database identifiers
- CAS
6510-90-3- PubChem CID
- 264203
- DTXSID
DTXSID20294989- ChEMBL
CHEMBL31779- Nikkaji
- J1.544.109G
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 82.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 387
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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