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Home > Aldehydes > 1029052-72-9
1029052-72-9 | 1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-1-(phenylsulfonyl)-
CAS No: 1029052-72-9 Catalog No: AG009Q59 MDL No:
Product Description
Catalog Number:
AG009Q59
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-3-carboxaldehyde, 5-chloro-1-(phenylsulfonyl)-
CAS Number:
1029052-72-9
Molecular Formula:
C14H9ClN2O3S
Molecular Weight:
320.7509
IUPAC Name:
1-(benzenesulfonyl)-5-chloropyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C14H9ClN2O3S/c15-11-6-13-10(9-18)8-17(14(13)16-7-11)21(19,20)12-4-2-1-3-5-12/h1-9H
InChI Key:
ASAHJOFVOBGJIX-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cc(Cl)cn2)S(=O)(=O)c1ccccc1
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
320.002g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
320.747g/mol
Monoisotopic Mass:
320.002g/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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