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Home > Aldehydes > 1227269-19-3
1227269-19-3 | 1H-Pyrrolo[2,3-c]pyridine-2-carboxaldehyde, 5-bromo-1-(phenylsulfonyl)-
CAS No: 1227269-19-3 Catalog No: AG000J56 MDL No:
Product Description
Catalog Number:
AG000J56
Chemical Name:
1H-Pyrrolo[2,3-c]pyridine-2-carboxaldehyde, 5-bromo-1-(phenylsulfonyl)-
CAS Number:
1227269-19-3
Molecular Formula:
C14H9BrN2O3S
Molecular Weight:
365.2019
IUPAC Name:
1-(benzenesulfonyl)-5-bromopyrrolo[2,3-c]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H9BrN2O3S/c15-14-7-10-6-11(9-18)17(13(10)8-16-14)21(19,20)12-4-2-1-3-5-12/h1-9H
InChI Key:
UQEVODBIWKRZKW-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)cnc(c2)Br
Properties
Complexity:
487
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.952g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
365.201g/mol
Monoisotopic Mass:
363.952g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
77.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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