Basic information
- CAS
41230-55-1- Standard SMILES
Cc1noc2nc(Cl)cnc12- InChIKey
LDPYCGYJKYNSPS-UHFFFAOYSA-N- Molecular formula
- C6H4ClN3O
- Average molar mass
- 169.57 g/mol
- Monoisotopic mass
- 169.0042895
Names & identifiers
- Preferred name
- 6-Chloro-3-methyl-[1,2]oxazolo[4,5-b]pyrazine
- IUPAC
- 6-chloro-3-methyl-[1,2]oxazolo[4,5-b]pyrazine
- English name
- 6-chloro-3-methylisoxazolo[4,5-b]pyrazine
- Molecular formula
- C6H4ClN3O
- Molecular weight
- 169.57
Names & synonyms
41230-55-16-chloro-3-methylisoxazolo[4,5-b]pyrazine6-chloro-3-methyl-[1,2]oxazolo[4,5-b]pyrazineNSC166136DTXSID40304519MFCD22395464ZB1017NSC-1661366-chloro-3-methyl-isoxazolo[4,5-b]pyrazineF763666-Chloro-3-methyl[1,2]oxazolo[4,5-b]pyrazineIsoxazolo[4,5-b]pyrazine, 6-chloro-3-methyl-
Database identifiers
- CAS
41230-55-1- PubChem CID
- 296223
- DTXSID
DTXSID40304519
Properties
Computed structural properties
- XLogP
- 1.3
- Topological polar surface area
- 51.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 258.1 · 258.1±35.0 °C(Predicted)
- Density
- 1.484 · 1.484±0.06 g/cm3(Predicted)
- pka
- -4.61 · -4.61±0.50(Predicted)
Chemistry & industry
Suppliers6 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
常州宣叶科技有限公司15195022192 · [email protected]
北京伊诺凯科技有限公司15652467323 · [email protected]
常州平博医药研发有限公司086-0519-83990708 18915800124 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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