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1227267-02-8 | 1H-Pyrrolo[2,3-c]pyridine, 5,7-dichloro-2-iodo-1-(phenylsulfonyl)-
CAS No: 1227267-02-8 Catalog No: AG000J20 MDL No:
Product Description
Catalog Number:
AG000J20
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine, 5,7-dichloro-2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227267-02-8
Molecular Formula:
C13H7Cl2IN2O2S
Molecular Weight:
453.0824
IUPAC Name:
1-(benzenesulfonyl)-5,7-dichloro-2-iodopyrrolo[2,3-c]pyridine
InChI:
InChI=1S/C13H7Cl2IN2O2S/c14-10-6-8-7-11(16)18(12(8)13(15)17-10)21(19,20)9-4-2-1-3-5-9/h1-7H
InChI Key:
CNZNTJSOVLZDCG-UHFFFAOYSA-N
SMILES:
Clc1cc2cc(n(c2c(n1)Cl)S(=O)(=O)c1ccccc1)I
Properties
Complexity:
481
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
451.865g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
453.075g/mol
Monoisotopic Mass:
451.865g/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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