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Home > Aldehydes > 956716-93-1
956716-93-1 | 1-Tosyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS No: 956716-93-1 Catalog No: AG005ZD3 MDL No:MFCD11559016
Product Description
Catalog Number:
AG005ZD3
Chemical Name:
1-Tosyl-1H-pyrrolo[2,3-b]pyridine-3-carbaldehyde
CAS Number:
956716-93-1
Molecular Formula:
C15H12N2O3S
Molecular Weight:
300.3324
MDL Number:
MFCD11559016
IUPAC Name:
1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-carbaldehyde
InChI:
InChI=1S/C15H12N2O3S/c1-11-4-6-13(7-5-11)21(19,20)17-9-12(10-18)14-3-2-8-16-15(14)17/h2-10H,1H3
InChI Key:
KNUNHLCRCRUQIK-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccn2)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
480
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:
2.3
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