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875781-45-6 | 2-Bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
CAS No: 875781-45-6 Catalog No: AG004IYQ MDL No:MFCD11109459
Product Description
Catalog Number:
AG004IYQ
Chemical Name:
2-Bromo-7-iodo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine
CAS Number:
875781-45-6
Molecular Formula:
C13H9BrIN3O2S
Molecular Weight:
478.1029
MDL Number:
MFCD11109459
IUPAC Name:
2-bromo-7-iodo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
InChI:
InChI=1S/C13H9BrIN3O2S/c1-8-2-4-9(5-3-8)21(19,20)18-7-10(15)12-13(18)16-6-11(14)17-12/h2-7H,1H3
InChI Key:
QONWBLJGJMTBKI-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(n2)Br)I
Properties
Complexity:
478
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
476.864g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
478.102g/mol
Monoisotopic Mass:
476.864g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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