Basic information
- CAS
32601-89-1- Standard SMILES
Clc1ccc2nc(CBr)cnc2c1- InChIKey
UQYWHLIYMZADLR-UHFFFAOYSA-N- Molecular formula
- C9H6BrClN2
- Average molar mass
- 257.51 g/mol
- Monoisotopic mass
- 255.94029
Names & identifiers
- Preferred name
- Quinoxaline, 2-(bromomethyl)-6-chloro-
- IUPAC
- 2-(bromomethyl)-6-chloroquinoxaline
- English name
- 2-(BroMoMethyl)-6-chloroquinoxaline
- Molecular formula
- C9H6BrClN2
- Molecular weight
- 257.51
Names & synonyms
2-(bromomethyl)-6-chloroquinoxaline32601-89-1Quinoxaline, 2-(bromomethyl)-6-chloro-NSC144172SCHEMBL9700931DTXSID90301553PSA90084NSC-144172
Database identifiers
- CAS
32601-89-1- PubChem CID
- 286256
- DTXSID
DTXSID90301553
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 179
Physicochemical properties
- Boiling point
- 333.6 · 333.6±37.0 °C(Predicted)
- Density
- 1.7 · 1.700±0.06 g/cm3(Predicted)
- pka
- -0.98 · -0.98±0.30(Predicted)
Chemistry & industry
Suppliers1 total
上海书亚医药科技有限公司400-685-9117 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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