Basic information
- CAS
58683-84-4- Standard SMILES
COc1cc(N=Nc2ccccc2)ccc1[N+](=O)[O-]- InChIKey
OWYKQTDOYDDHKU-UHFFFAOYSA-N- Molecular formula
- C13H11N3O3
- Average molar mass
- 257.24 g/mol
- Monoisotopic mass
- 257.08004122
Names & identifiers
- Preferred name
- 3-Methoxy-4-nitroazobenzene
- IUPAC
- (3-methoxy-4-nitrophenyl)-phenyldiazene
- English name
- 3-Methoxy-4-nitroazobenzene
- Molecular formula
- C13H11N3O3
- Molecular weight
- 257.24
Names & synonyms
3-Methoxy-4-nitroazobenzene58683-84-4AZOBENZENE, 3-METHOXY-4-NITRO-Diazene, (3-methoxy-4-nitrophenyl)phenyl-G7B63RJG2ZMethoxy-4-nitroazobenzene, 3-SCHEMBL28553469SCHEMBL28553470DTXSID401031967DB-2944191-(3-Methoxy-4-nitrophenyl)-2-phenyldiazeneDiazene, 1-(3-methoxy-4-nitrophenyl)-2-phenyl-
Show more names
(3-methoxy-4-nitrophenyl)-phenyldiazene
Database identifiers
- CAS
58683-84-4- PubChem CID
- 42809
- DTXSID
DTXSID401031967- UNII
- G7B63RJG2Z
- Nikkaji
- J62.415B
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 79.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 324
Physicochemical properties
- Boiling point
- 400.49 °C · 400.49°C (rough estimate)
- Density
- 1.2519 · 1.2519 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…