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1228665-79-9 | 1-(6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
CAS No: 1228665-79-9 Catalog No: AG00HH35 MDL No:MFCD16628268
Product Description
Catalog Number:
AG00HH35
Chemical Name:
1-(6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
CAS Number:
1228665-79-9
Molecular Formula:
C12H15IN2O2
Molecular Weight:
346.1642
MDL Number:
MFCD16628268
IUPAC Name:
1-(6-iodo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C12H15IN2O2/c1-12(2,3)11(16)15-6-7-17-10-8(15)4-5-9(13)14-10/h4-5H,6-7H2,1-3H3
InChI Key:
ZMRLYMRYNIFQRA-UHFFFAOYSA-N
SMILES:
O=C(C(C)(C)C)N1CCOc2c1ccc(n2)I
Properties
Complexity:
303
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.168g/mol
Monoisotopic Mass:
346.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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