1-(6-Iodo-2,3-dihydro-1h-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one - CAS 1228665-79-9
Catalog: |
BB060725 |
Product Name: |
1-(6-Iodo-2,3-dihydro-1h-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one |
CAS: |
1228665-79-9 |
Synonyms: |
1-(6-Iodo-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one; 1-(6-iodo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one |
IUPAC Name: | 1-(6-iodo-2,3-dihydropyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one |
Description: | 1-(6-Iodo-2,3-dihydro-1h-pyrido[2,3-b][1,4]oxazin-1-yl)-2,2-dimethylpropan-1-one |
Molecular Weight: | 346.16 |
Molecular Formula: | C12H15IN2O2 |
Canonical SMILES: | CC(C)(C)C(=O)N1CCOC2=C1C=CC(=N2)I |
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 |
Complexity: | 303 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 346.01783 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 346.01783 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 42.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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