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Home > Aldehydes > 827607-95-4
827607-95-4 | 1H-Indole-5-carboxaldehyde, 4-amino-1-(phenylsulfonyl)-
CAS No: 827607-95-4 Catalog No: AG004TQO MDL No:
Product Description
Catalog Number:
AG004TQO
Chemical Name:
1H-Indole-5-carboxaldehyde, 4-amino-1-(phenylsulfonyl)-
CAS Number:
827607-95-4
Molecular Formula:
C15H12N2O3S
Molecular Weight:
300.3324
IUPAC Name:
4-amino-1-(benzenesulfonyl)indole-5-carbaldehyde
InChI:
InChI=1S/C15H12N2O3S/c16-15-11(10-18)6-7-14-13(15)8-9-17(14)21(19,20)12-4-2-1-3-5-12/h1-10H,16H2
InChI Key:
JOAJLLFKSYDCHF-UHFFFAOYSA-N
SMILES:
O=Cc1ccc2c(c1N)ccn2S(=O)(=O)c1ccccc1
Properties
Complexity:
482
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:
1
Isotope Atom Count:
0
Molecular Weight:
300.332g/mol
Monoisotopic Mass:
300.057g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
90.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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