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1393569-69-1 | Imidazo[1,5-a]pyrazine-7(8H)-carboxylic acid, 5,6-dihydro-3-iodo-, 1,1-dimethylethyl ester
CAS No: 1393569-69-1 Catalog No: AG001AUA MDL No:MFCD22543932
Product Description
Catalog Number:
AG001AUA
Chemical Name:
Imidazo[1,5-a]pyrazine-7(8H)-carboxylic acid, 5,6-dihydro-3-iodo-, 1,1-dimethylethyl ester
CAS Number:
1393569-69-1
Molecular Formula:
C11H16IN3O2
Molecular Weight:
349.1681
MDL Number:
MFCD22543932
IUPAC Name:
tert-butyl 3-iodo-6,8-dihydro-5H-imidazo[1,5-a]pyrazine-7-carboxylate
InChI:
InChI=1S/C11H16IN3O2/c1-11(2,3)17-10(16)14-4-5-15-8(7-14)6-13-9(15)12/h6H,4-5,7H2,1-3H3
InChI Key:
GKSFXAQNYSKGOW-UHFFFAOYSA-N
SMILES:
O=C(N1CCn2c(C1)cnc2I)OC(C)(C)C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
349.029g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
349.172g/mol
Monoisotopic Mass:
349.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
47.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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