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Home > Aldehydes > 1227270-49-6
1227270-49-6 | 1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 4-nitro-1-(phenylsulfonyl)-
CAS No: 1227270-49-6 Catalog No: AG000J6E MDL No:
Product Description
Catalog Number:
AG000J6E
Chemical Name:
1H-Pyrrolo[2,3-b]pyridine-2-carboxaldehyde, 4-nitro-1-(phenylsulfonyl)-
CAS Number:
1227270-49-6
Molecular Formula:
C14H9N3O5S
Molecular Weight:
331.3034
IUPAC Name:
1-(benzenesulfonyl)-4-nitropyrrolo[2,3-b]pyridine-2-carbaldehyde
InChI:
InChI=1S/C14H9N3O5S/c18-9-10-8-12-13(17(19)20)6-7-15-14(12)16(10)23(21,22)11-4-2-1-3-5-11/h1-9H
InChI Key:
WSPVFJUCMSZNBV-UHFFFAOYSA-N
SMILES:
O=Cc1cc2c(n1S(=O)(=O)c1ccccc1)nccc2[N+](=O)[O-]
Properties
Complexity:
564
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.026g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
331.302g/mol
Monoisotopic Mass:
331.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
123A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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