5-chloro-2-methyl-7H-isoxazolo[2,3-a]pyrimidin-7-one
Basic information
- CAS
278614-92-9- Standard SMILES
Cc1cc2nc(Cl)cc(=O)n2o1- InChIKey
XNAWHAKTUSSDKH-UHFFFAOYSA-N- Molecular formula
- C7H5ClN2O2
- Average molar mass
- 184.58 g/mol
- Monoisotopic mass
- 184.0039551
Names & identifiers
- Preferred name
- 5-chloro-2-methyl-7H-isoxazolo[2,3-a]pyrimidin-7-one
- IUPAC
- 5-chloro-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-one
- English name
- 5-CHLORO-2-METHYL-7H-ISOXAZOLO[2,3-A]PYRIMIDIN-7-ONE
- Molecular formula
- C7H5ClN2O2
- Molecular weight
- 184.58
Names & synonyms
5-chloro-2-methyl-7H-isoxazolo[2,3-a]pyrimidin-7-one278614-92-95-chloro-2-methyl-7H-[1,2]oxazolo[2,3-a]pyrimidin-7-oneMFCD073663595-chloro-2-methyl-[1,2]oxazolo[2,3-a]pyrimidin-7-oneSCHEMBL14720874DTXSID801219945DLA61492AKOS009020596BS-28091CS-0308950EN300-14372
Show more names
7H-Isoxazolo[2,3-a]pyrimidin-7-one, 5-chloro-2-methyl-
G578455-chloro-2-methyl-isoxazolo[2,3-a]pyrimidin-7-oneZ99601158
Database identifiers
- CAS
278614-92-9- PubChem CID
- 7130729
- DTXSID
DTXSID801219945
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 343
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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