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1261365-43-8 | 1-(6-Iodo-7-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
CAS No: 1261365-43-8 Catalog No: AG00HIWE MDL No:MFCD18374157
Product Description
Catalog Number:
AG00HIWE
Chemical Name:
1-(6-Iodo-7-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
CAS Number:
1261365-43-8
Molecular Formula:
C13H17IN2O2
Molecular Weight:
360.1907
MDL Number:
MFCD18374157
IUPAC Name:
1-(6-iodo-7-methyl-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C13H17IN2O2/c1-8-7-9-11(15-10(8)14)18-6-5-16(9)12(17)13(2,3)4/h7H,5-6H2,1-4H3
InChI Key:
LLWFXBGMCOOQRH-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)N1CCOc2c1cc(C)c(n2)I
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
360.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
360.195g/mol
Monoisotopic Mass:
360.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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