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1864059-79-9 | 3-(AZETIDIN-3-YL)BENZO[D]OXAZOL-2(3H)-ONE HYDROCHLORIDE
CAS No: 1864059-79-9 Catalog No: AG01ASEJ MDL No:MFCD28126189
Product Description
Catalog Number:
AG01ASEJ
Chemical Name:
3-(AZETIDIN-3-YL)BENZO[D]OXAZOL-2(3H)-ONE HYDROCHLORIDE
CAS Number:
1864059-79-9
Molecular Formula:
C10H11ClN2O2
Molecular Weight:
226.6595
MDL Number:
MFCD28126189
IUPAC Name:
3-(azetidin-3-yl)-1,3-benzoxazol-2-one;hydrochloride
InChI:
InChI=1S/C10H10N2O2.ClH/c13-10-12(7-5-11-6-7)8-3-1-2-4-9(8)14-10;/h1-4,7,11H,5-6H2;1H
InChI Key:
WVDRCRFOYMXMIY-UHFFFAOYSA-N
SMILES:
O=c1oc2c(n1C1CNC1)cccc2.Cl
Properties
Complexity:
253
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
226.051g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
226.66g/mol
Monoisotopic Mass:
226.051g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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