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28839-26-1 | Butaneperoxoic acid, 4-chloro-4-oxo-, 1,1-dimethylethyl ester
CAS No: 28839-26-1 Catalog No: AG002WR4 MDL No:
Product Description
Catalog Number:
AG002WR4
Chemical Name:
Butaneperoxoic acid, 4-chloro-4-oxo-, 1,1-dimethylethyl ester
CAS Number:
28839-26-1
Molecular Formula:
C8H13ClO4
Molecular Weight:
208.6394
IUPAC Name:
tert-butyl 4-chloro-4-oxobutaneperoxoate
InChI:
InChI=1S/C8H13ClO4/c1-8(2,3)13-12-7(11)5-4-6(9)10/h4-5H2,1-3H3
InChI Key:
WXNMOOQJPNRSIX-UHFFFAOYSA-N
SMILES:
O=C(OOC(C)(C)C)CCC(=O)Cl
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.05g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
208.638g/mol
Monoisotopic Mass:
208.05g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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