Name: Name:Benzaldehyde, 4-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)-
Brand: Angene
SKU: AG000PIR
Rating: 90 (10 reviews)

Benzaldehyde, 4-(4-methyl-1-piperazinyl)-2-(methylsulfonyl)-

CAS No.:

1197193-26-2

Catalog Number:

AG000PIR

Molecular Formula:

C13H18N2O3S

Molecular Weight:

282.3586

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

Complexity:

410

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

282.104g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

282.358g/mol

Monoisotopic Mass:

282.104g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

66.1A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.6