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114333-35-6 | Peroxide, 11-bromo-1-oxoundecyl 1-oxododecyl (9CI)
CAS No: 114333-35-6 Catalog No: AG000B4H MDL No:
Product Description
Catalog Number:
AG000B4H
Chemical Name:
Peroxide, 11-bromo-1-oxoundecyl 1-oxododecyl (9CI)
CAS Number:
114333-35-6
Molecular Formula:
C23H43BrO4
Molecular Weight:
463.4891
IUPAC Name:
11-bromoundecanoyl dodecaneperoxoate
InChI:
InChI=1S/C23H43BrO4/c1-2-3-4-5-6-7-10-13-16-19-22(25)27-28-23(26)20-17-14-11-8-9-12-15-18-21-24/h2-21H2,1H3
InChI Key:
KKMQTXNDPBXAJF-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCC(=O)OOC(=O)CCCCCCCCCCBr
Properties
Complexity:
361
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
462.234g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
463.497g/mol
Monoisotopic Mass:
462.234g/mol
Rotatable Bond Count:
23
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.8
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