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928888-65-7 | 4-(4-bromobenzenesulfonyl)piperazine-1-carbaldehyde
CAS No: 928888-65-7 Catalog No: AG01A0TG MDL No:MFCD04331021
Product Description
Catalog Number:
AG01A0TG
Chemical Name:
4-(4-bromobenzenesulfonyl)piperazine-1-carbaldehyde
CAS Number:
928888-65-7
Molecular Formula:
C11H13BrN2O3S
Molecular Weight:
333.2015
MDL Number:
MFCD04331021
IUPAC Name:
4-(4-bromophenyl)sulfonylpiperazine-1-carbaldehyde
InChI:
InChI=1S/C11H13BrN2O3S/c12-10-1-3-11(4-2-10)18(16,17)14-7-5-13(9-15)6-8-14/h1-4,9H,5-8H2
InChI Key:
AARZPKHJMDHDGH-UHFFFAOYSA-N
SMILES:
O=CN1CCN(CC1)S(=O)(=O)c1ccc(cc1)Br
Properties
Complexity:
380
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
331.983g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
333.2g/mol
Monoisotopic Mass:
331.983g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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