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Home > Aldehydes > 833436-61-6
833436-61-6 | 1H-Indole-3-carboxaldehyde, 1-[(2-nitrophenyl)sulfonyl]-
CAS No: 833436-61-6 Catalog No: AG0055T2 MDL No:
Product Description
Catalog Number:
AG0055T2
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-[(2-nitrophenyl)sulfonyl]-
CAS Number:
833436-61-6
Molecular Formula:
C15H10N2O5S
Molecular Weight:
330.3153
IUPAC Name:
1-(2-nitrophenyl)sulfonylindole-3-carbaldehyde
InChI:
InChI=1S/C15H10N2O5S/c18-10-11-9-16(13-6-2-1-5-12(11)13)23(21,22)15-8-4-3-7-14(15)17(19)20/h1-10H
InChI Key:
QSJYZMQSNUOUQO-UHFFFAOYSA-N
SMILES:
O=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccccc1[N+](=O)[O-]
Properties
Complexity:
567
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
330.031g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
330.314g/mol
Monoisotopic Mass:
330.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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