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1198108-42-7 | 1H-Pyrido[3,4-b][1,4]oxazine-1-carboxylic acid, 2,3-dihydro-8-iodo-, 1,1-dimethylethyl ester
CAS No: 1198108-42-7 Catalog No: AG000PP0 MDL No:MFCD13176663
Product Description
Catalog Number:
AG000PP0
Chemical Name:
1H-Pyrido[3,4-b][1,4]oxazine-1-carboxylic acid, 2,3-dihydro-8-iodo-, 1,1-dimethylethyl ester
CAS Number:
1198108-42-7
Molecular Formula:
C12H15IN2O3
Molecular Weight:
362.1636
MDL Number:
MFCD13176663
IUPAC Name:
tert-butyl 8-iodo-2,3-dihydropyrido[3,4-b][1,4]oxazine-1-carboxylate
InChI:
InChI=1S/C12H15IN2O3/c1-12(2,3)18-11(16)15-4-5-17-9-7-14-6-8(13)10(9)15/h6-7H,4-5H2,1-3H3
InChI Key:
FHANMMQZJJAYSF-UHFFFAOYSA-N
SMILES:
O=C(N1CCOc2c1c(I)cnc2)OC(C)(C)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.013g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
362.167g/mol
Monoisotopic Mass:
362.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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