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1227268-75-8 | 1H-Pyrrolo[2,3-b]pyridine, 4-bromo-6-chloro-2-iodo-1-(phenylsulfonyl)-
CAS No: 1227268-75-8 Catalog No: AG000J3H MDL No:
Product Description
Catalog Number:
AG000J3H
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine, 4-bromo-6-chloro-2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227268-75-8
Molecular Formula:
C13H7BrClIN2O2S
Molecular Weight:
497.5333
IUPAC Name:
1-(benzenesulfonyl)-4-bromo-6-chloro-2-iodopyrrolo[2,3-b]pyridine
InChI:
InChI=1S/C13H7BrClIN2O2S/c14-10-7-11(15)17-13-9(10)6-12(16)18(13)21(19,20)8-4-2-1-3-5-8/h1-7H
InChI Key:
LZNSCIQAVFFQCL-UHFFFAOYSA-N
SMILES:
Clc1cc(Br)c2c(n1)n(c(c2)I)S(=O)(=O)c1ccccc1
Properties
Complexity:
483
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
495.814g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
497.529g/mol
Monoisotopic Mass:
495.814g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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