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Home > Aldehydes > 132636-66-9
132636-66-9 | Benzaldehyde, 4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)oxy]-
CAS No: 132636-66-9 Catalog No: AG0010XG MDL No:MFCD00733929
Product Description
Catalog Number:
AG0010XG
Chemical Name:
Benzaldehyde, 4-[(1,1-dioxido-1,2-benzisothiazol-3-yl)oxy]-
CAS Number:
132636-66-9
Molecular Formula:
C14H9NO4S
Molecular Weight:
287.2906
MDL Number:
MFCD00733929
IUPAC Name:
4-[(1,1-dioxo-1,2-benzothiazol-3-yl)oxy]benzaldehyde
InChI:
InChI=1S/C14H9NO4S/c16-9-10-5-7-11(8-6-10)19-14-12-3-1-2-4-13(12)20(17,18)15-14/h1-9H
InChI Key:
XPMJOFBRLNZVQH-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)OC1=NS(=O)(=O)c2c1cccc2
Properties
Complexity:
500
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
287.025g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
287.289g/mol
Monoisotopic Mass:
287.025g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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