Basic information
- CAS
230-33-1- Standard SMILES
c1ccc2c(c1)ccc1nccnc12- InChIKey
YUFRAQHYKKPYLH-UHFFFAOYSA-N- Molecular formula
- C12H8N2
- Average molar mass
- 180.2 g/mol
- Monoisotopic mass
- 180.06874826
Names & identifiers
- Preferred name
- Benzoquinoxaline
- IUPAC
- benzo[f]quinoxaline
- English name
- benzoquinoxaline
- Molecular formula
- C12H8N2
- Molecular weight
- 180.21
Names & synonyms
Benzo[f]quinoxalineBenzoquinoxaline230-33-15,6-BenzoquinoxalineBENZO(F)QUINOXALINEV7UJG79BN9NSC-48954DTXSID90177553RefChem:118540DTXCID501000441,4-Diazaphenanthrenebenzochinoxalin
Show more names
NSC 489547,8-benzoquinoxalineUNII-V7UJG79BN91,4-PHENANTHROLINESCHEMBL730579SCHEMBL2513089SCHEMBL2517163SCHEMBL2517165
Database identifiers
- CAS
230-33-1- PubChem CID
- 98494
- DTXSID
DTXSID90177553- UNII
- V7UJG79BN9
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 204
Experimental & physicochemical properties
SpringerMaterials PropertiesAngular frequency
Physicochemical properties
- Melting point
- 62 °C · 62 °C
- Boiling point
- 354.9 · 354.9±15.0 °C(Predicted)
- Density
- 1.25 · 1.250±0.06 g/cm3(Predicted)
- pka
- 0.29 · 0.29±0.30(Predicted)
- FDA UNII
- 7 UJG79BN9 · V7UJG79BN9
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
CHEMICAL LAND21[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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