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30989-26-5 | Peroxide, 2-bromobenzoyl 2-iodobenzoyl (9CI)
CAS No: 30989-26-5 Catalog No: AG0031TN MDL No:
Product Description
Catalog Number:
AG0031TN
Chemical Name:
Peroxide, 2-bromobenzoyl 2-iodobenzoyl (9CI)
CAS Number:
30989-26-5
Molecular Formula:
C14H8BrIO4
Molecular Weight:
447.0194
IUPAC Name:
(2-iodobenzoyl) 2-bromobenzenecarboperoxoate
InChI:
InChI=1S/C14H8BrIO4/c15-11-7-3-1-5-9(11)13(17)19-20-14(18)10-6-2-4-8-12(10)16/h1-8H
InChI Key:
QZEJJJYWQBHPJI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1Br)OOC(=O)c1ccccc1I
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
445.865g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
447.022g/mol
Monoisotopic Mass:
445.865g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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