Home Halogens 1-(4-acetyl-1-piperazinyl)-2-bromo-ethanone

1-(4-acetyl-1-piperazinyl)-2-bromo-ethanone

CAS No.:
330809-39-7
Catalog Number:
AG01E70M
Molecular Formula:
C8H13BrN2O2
Molecular Weight:
249.1050
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Product Description
Catalog Number:
AG01E70M
Chemical Name:
1-(4-acetyl-1-piperazinyl)-2-bromo-ethanone
CAS Number:
330809-39-7
Molecular Formula:
C8H13BrN2O2
Molecular Weight:
249.1050
MDL Number:
MFCD16492217
IUPAC Name:
1-(4-acetylpiperazin-1-yl)-2-bromoethanone
InChI:
InChI=1S/C8H13BrN2O2/c1-7(12)10-2-4-11(5-3-10)8(13)6-9/h2-6H2,1H3
InChI Key:
WURSUKHWYZCOLH-UHFFFAOYSA-N
SMILES:
BrCC(=O)N1CCN(CC1)C(=O)C
Properties
Complexity:
212  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
248.016g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
249.108g/mol
Monoisotopic Mass:
248.016g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2  
Properties