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Home > Imidazoles > 1393545-49-7
1393545-49-7 | Imidazo[1,5-a]pyrazine, 5,6,7,8-tetrahydro-3-iodo-
CAS No: 1393545-49-7 Catalog No: AG001ATJ MDL No:MFCD22543931
Product Description
Catalog Number:
AG001ATJ
Chemical Name:
Imidazo[1,5-a]pyrazine, 5,6,7,8-tetrahydro-3-iodo-
CAS Number:
1393545-49-7
Molecular Formula:
C6H8IN3
Molecular Weight:
249.0523
MDL Number:
MFCD22543931
IUPAC Name:
3-iodo-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine
InChI:
InChI=1S/C6H8IN3/c7-6-9-4-5-3-8-1-2-10(5)6/h4,8H,1-3H2
InChI Key:
PTEKFJGMQLKVNS-UHFFFAOYSA-N
SMILES:
Ic1ncc2n1CCNC2
Properties
Complexity:
130
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.976g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.055g/mol
Monoisotopic Mass:
248.976g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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