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Home > Fluorides > 1823184-48-0
1823184-48-0 | 6-(trifluoromethoxy)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-4-one hydrochloride
CAS No: 1823184-48-0 Catalog No: AG00ISOW MDL No:MFCD29042696
Product Description
Catalog Number:
AG00ISOW
Chemical Name:
6-(trifluoromethoxy)-3,4-dihydrospiro[1,3-benzoxazine-2,4'-piperidine]-4-one hydrochloride
CAS Number:
1823184-48-0
Molecular Formula:
C13H14ClF3N2O3
Molecular Weight:
338.7101
MDL Number:
MFCD29042696
IUPAC Name:
6-(trifluoromethoxy)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one;hydrochloride
InChI:
InChI=1S/C13H13F3N2O3.ClH/c14-13(15,16)20-8-1-2-10-9(7-8)11(19)18-12(21-10)3-5-17-6-4-12;/h1-2,7,17H,3-6H2,(H,18,19);1H
InChI Key:
IQANNYDQQUHSPJ-UHFFFAOYSA-N
SMILES:
O=C1NC2(CCNCC2)Oc2c1cc(cc2)OC(F)(F)F.Cl
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
338.065g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
338.711g/mol
Monoisotopic Mass:
338.065g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
59.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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