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Home > Aldehydes > 188988-42-3
188988-42-3 | 1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-, oxime
CAS No: 188988-42-3 Catalog No: AG002HNU MDL No:
Product Description
Catalog Number:
AG002HNU
Chemical Name:
1H-Indole-3-carboxaldehyde, 1-[(4-methylphenyl)sulfonyl]-, oxime
CAS Number:
188988-42-3
Molecular Formula:
C16H14N2O3S
Molecular Weight:
314.3590
IUPAC Name:
N-[[1-(4-methylphenyl)sulfonylindol-3-yl]methylidene]hydroxylamine
InChI:
InChI=1S/C16H14N2O3S/c1-12-6-8-14(9-7-12)22(20,21)18-11-13(10-17-19)15-4-2-3-5-16(15)18/h2-11,19H,1H3
InChI Key:
KMOWXORJEHJUTG-UHFFFAOYSA-N
SMILES:
ON=Cc1cn(c2c1cccc2)S(=O)(=O)c1ccc(cc1)C
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
314.073g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
314.359g/mol
Monoisotopic Mass:
314.073g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.3
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