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Home > Aldehydes > 1227270-57-6
1227270-57-6 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-methyl-1-(phenylsulfonyl)-
CAS No: 1227270-57-6 Catalog No: AG000J66 MDL No:
Product Description
Catalog Number:
AG000J66
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 5-methyl-1-(phenylsulfonyl)-
CAS Number:
1227270-57-6
Molecular Formula:
C15H12N2O3S
Molecular Weight:
300.3324
IUPAC Name:
1-(benzenesulfonyl)-5-methylpyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C15H12N2O3S/c1-11-7-12-8-13(10-18)17(15(12)16-9-11)21(19,20)14-5-3-2-4-6-14/h2-10H,1H3
InChI Key:
JIFZOJZRRGIIGM-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)ncc(c2)C
Properties
Complexity:
482
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.057g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
300.332g/mol
Monoisotopic Mass:
300.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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