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28531-45-5 | Peroxide, 2-bromo-1,1-dimethylethyl 1,1-dimethylethyl (9CI)
CAS No: 28531-45-5 Catalog No: AG002VNQ MDL No:
Product Description
Catalog Number:
AG002VNQ
Chemical Name:
Peroxide, 2-bromo-1,1-dimethylethyl 1,1-dimethylethyl (9CI)
CAS Number:
28531-45-5
Molecular Formula:
C8H17BrO2
Molecular Weight:
225.1234
IUPAC Name:
1-bromo-2-tert-butylperoxy-2-methylpropane
InChI:
InChI=1S/C8H17BrO2/c1-7(2,3)10-11-8(4,5)6-9/h6H2,1-5H3
InChI Key:
VHDDKKAPVCWJKP-UHFFFAOYSA-N
SMILES:
BrCC(OOC(C)(C)C)(C)C
Properties
Complexity:
116
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.041g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.126g/mol
Monoisotopic Mass:
224.041g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
18.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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