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Home > Aldehydes > 1227270-23-6
1227270-23-6 | 1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 2-iodo-1-(phenylsulfonyl)-
CAS No: 1227270-23-6 Catalog No: AG000J5M MDL No:
Product Description
Catalog Number:
AG000J5M
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-5-carboxaldehyde, 2-iodo-1-(phenylsulfonyl)-
CAS Number:
1227270-23-6
Molecular Formula:
C14H9IN2O3S
Molecular Weight:
412.2023
IUPAC Name:
1-(benzenesulfonyl)-2-iodopyrrolo[2,3-b]pyridine-5-carbaldehyde
InChI:
InChI=1S/C14H9IN2O3S/c15-13-7-11-6-10(9-18)8-16-14(11)17(13)21(19,20)12-4-2-1-3-5-12/h1-9H
InChI Key:
OVMPCUZPRMUION-UHFFFAOYSA-N
SMILES:
O=Cc1cnc2c(c1)cc(n2S(=O)(=O)c1ccccc1)I
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
411.938g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.201g/mol
Monoisotopic Mass:
411.938g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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