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1760-15-2 | 1-Propanone, 3-bromo-1-[4-(3-bromo-2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2,2-dimethyl-
CAS No: 1760-15-2 Catalog No: AG0021CU MDL No:
Product Description
Catalog Number:
AG0021CU
Chemical Name:
1-Propanone, 3-bromo-1-[4-(3-bromo-2,2-dimethyl-1-oxopropyl)-1-piperazinyl]-2,2-dimethyl-
CAS Number:
1760-15-2
Molecular Formula:
C14H24Br2N2O2
Molecular Weight:
412.1606
IUPAC Name:
3-bromo-1-[4-(3-bromo-2,2-dimethylpropanoyl)piperazin-1-yl]-2,2-dimethylpropan-1-one
InChI:
InChI=1S/C14H24Br2N2O2/c1-13(2,9-15)11(19)17-5-7-18(8-6-17)12(20)14(3,4)10-16/h5-10H2,1-4H3
InChI Key:
YOIJEGPUCWNOAV-UHFFFAOYSA-N
SMILES:
BrCC(C(=O)N1CCN(CC1)C(=O)C(CBr)(C)C)(C)C
NSC Number:
57838
Properties
Complexity:
339
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
412.018g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
412.166g/mol
Monoisotopic Mass:
410.02g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
40.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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