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500859-71-2 | 4-(BENZENESULFONYL)PIPERAZINE-1-CARBALDEHYDE
CAS No: 500859-71-2 Catalog No: AG01EII4 MDL No:MFCD04331848
Product Description
Catalog Number:
AG01EII4
Chemical Name:
4-(BENZENESULFONYL)PIPERAZINE-1-CARBALDEHYDE
CAS Number:
500859-71-2
Molecular Formula:
C11H14N2O3S
Molecular Weight:
254.3055
MDL Number:
MFCD04331848
IUPAC Name:
4-(benzenesulfonyl)piperazine-1-carbaldehyde
InChI:
InChI=1S/C11H14N2O3S/c14-10-12-6-8-13(9-7-12)17(15,16)11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChI Key:
LDXHRXXJOILMFH-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)S(=O)(=O)c1ccccc1
NSC Number:
511091
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.073g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.304g/mol
Monoisotopic Mass:
254.073g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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