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Home > Aldehydes > 1197193-26-2
1197193-26-2 | Benzaldehyde, 4-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)-
CAS No: 1197193-26-2 Catalog No: AG000PIR MDL No:MFCD13191596
Product Description
Catalog Number:
AG000PIR
Chemical Name:
Benzaldehyde, 4-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)-
CAS Number:
1197193-26-2
Molecular Formula:
C13H18N2O3S
Molecular Weight:
282.3586
MDL Number:
MFCD13191596
IUPAC Name:
4-(4-methylpiperazin-1-yl)-2-methylsulfonylbenzaldehyde
InChI:
InChI=1S/C13H18N2O3S/c1-14-5-7-15(8-6-14)12-4-3-11(10-16)13(9-12)19(2,17)18/h3-4,9-10H,5-8H2,1-2H3
InChI Key:
RGSLNJIEVKCBHC-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1S(=O)(=O)C)N1CCN(CC1)C
Properties
Complexity:
410
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.104g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.358g/mol
Monoisotopic Mass:
282.104g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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