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Home > Aldehydes > 1227268-67-8
1227268-67-8 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 6-chloro-1-(phenylsulfonyl)-
CAS No: 1227268-67-8 Catalog No: AG000J3P MDL No:
Product Description
Catalog Number:
AG000J3P
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 6-chloro-1-(phenylsulfonyl)-
CAS Number:
1227268-67-8
Molecular Formula:
C14H9ClN2O3S
Molecular Weight:
320.7509
IUPAC Name:
1-(benzenesulfonyl)-6-chloropyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H9ClN2O3S/c15-13-7-6-10-8-11(9-18)17(14(10)16-13)21(19,20)12-4-2-1-3-5-12/h1-9H
InChI Key:
WDPYFFADHOZNIY-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)nc(cc2)Cl
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:
3.2
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