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1864054-36-3 | 3-(AZETIDIN-3-YLMETHYL)BENZO[D]OXAZOL-2(3H)-ONE HYDROCHLORIDE
CAS No: 1864054-36-3 Catalog No: AG01ASJ3 MDL No:MFCD28125876
Product Description
Catalog Number:
AG01ASJ3
Chemical Name:
3-(AZETIDIN-3-YLMETHYL)BENZO[D]OXAZOL-2(3H)-ONE HYDROCHLORIDE
CAS Number:
1864054-36-3
Molecular Formula:
C11H13ClN2O2
Molecular Weight:
240.6861
MDL Number:
MFCD28125876
IUPAC Name:
3-(azetidin-3-ylmethyl)-1,3-benzoxazol-2-one;hydrochloride
InChI:
InChI=1S/C11H12N2O2.ClH/c14-11-13(7-8-5-12-6-8)9-3-1-2-4-10(9)15-11;/h1-4,8,12H,5-7H2;1H
InChI Key:
XLRUCAKCKFGFKR-UHFFFAOYSA-N
SMILES:
O=c1oc2c(n1CC1CNC1)cccc2.Cl
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
240.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
240.687g/mol
Monoisotopic Mass:
240.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
41.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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