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889451-27-8 | 7-Iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
CAS No: 889451-27-8 Catalog No: AG00IFIS MDL No:MFCD17015891
Product Description
Catalog Number:
AG00IFIS
Chemical Name:
7-Iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
CAS Number:
889451-27-8
Molecular Formula:
C13H10IN3O2S
Molecular Weight:
399.2069
MDL Number:
MFCD17015891
IUPAC Name:
7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
InChI:
InChI=1S/C13H10IN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-8-11(14)12-13(17)16-7-6-15-12/h2-8H,1H3
InChI Key:
SRVCFXSYVHUCOB-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1nccn2)I
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
398.954g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
399.206g/mol
Monoisotopic Mass:
398.954g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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