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875639-15-9 | 5-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine
CAS No: 875639-15-9 Catalog No: AG003972 MDL No:
Product Description
Catalog Number:
AG003972
Chemical Name:
5-bromo-3-iodo-1-tosyl-1H-pyrrolo[2,3-b]pyridine
CAS Number:
875639-15-9
Molecular Formula:
C14H10BrIN2O2S
Molecular Weight:
477.1149
IUPAC Name:
5-bromo-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C14H10BrIN2O2S/c1-9-2-4-11(5-3-9)21(19,20)18-8-13(16)12-6-10(15)7-17-14(12)18/h2-8H,1H3
InChI Key:
RNPRNNYUHMYADJ-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)n1cc(c2c1ncc(c2)Br)I
Properties
Complexity:
476
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.869g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
477.114g/mol
Monoisotopic Mass:
475.869g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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