Basic information
- CAS
211874-66-7- Standard SMILES
O=c1[nH]c2ccccc2c2oc(CCl)nc12- InChIKey
UKORJITXSYAZRG-UHFFFAOYSA-N- Molecular formula
- C11H7ClN2O2
- Average molar mass
- 234.64 g/mol
- Monoisotopic mass
- 234.0196052
Names & identifiers
- Preferred name
- 2-(Chloromethyl)[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
- IUPAC
- 2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one
- English name
- 2-(Chloromethyl)[1,3]oxazolo[4,5-c]quinolin-4(5H)-one
- Molecular formula
- C11H7ClN2O2
- Molecular weight
- 234.64
Names & synonyms
211874-66-72-(Chloromethyl)[1,3]oxazolo[4,5-c]quinolin-4(5H)-one2-(Chloromethyl)oxazolo[4,5-c]quinolin-4(5H)-one2-(chloromethyl)-5H-[1,3]oxazolo[4,5-c]quinolin-4-one2-(chloromethyl)-4H,5H-[1,3]oxazolo[4,5-c]quinolin-4-oneMLS000777613CHEMBL1340221UKORJITXSYAZRG-UHFFFAOYSA-NDTXSID801332145HMS2755E20SBB098303STK047659
Show more names
Oxazolo[4,5-c]quinolin-4(5H)-one, 2-(chloromethyl)-
STK638976AKOS005384462AKOS005570328SMR0004140072-Chloromethyl-5H-oxazolo[4,5-c]quinolin-4-oneAG-690/34157018SR-01000766741SR-01000766741-2
Database identifiers
- CAS
211874-66-7- PubChem CID
- 607883
- DTXSID
DTXSID801332145- ChEMBL
CHEMBL1340221
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 55.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
Solubility12.5 [ug/mL] (The mean of the results at pH 7.4)
Chemistry & industry
Suppliers4 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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