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1227269-10-4

1227269-10-4 | 1H-Pyrrolo[3,2-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-

CAS No: 1227269-10-4 Catalog No: AG000J40 MDL No:

Product Description

Catalog Number:
AG000J40
Chemical Name:
1H-Pyrrolo[3,2-b]pyridine-2-carboxaldehyde, 1-(phenylsulfonyl)-
CAS Number:
1227269-10-4
Molecular Formula:
C14H10N2O3S
Molecular Weight:
286.3058
IUPAC Name:
1-(benzenesulfonyl)pyrrolo[3,2-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H10N2O3S/c17-10-11-9-13-14(7-4-8-15-13)16(11)20(18,19)12-5-2-1-3-6-12/h1-10H
InChI Key:
JRRRIKGTACOIFH-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)cccn2

Properties

Complexity:
454  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
286.041g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
286.305g/mol
Monoisotopic Mass:
286.041g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

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