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77898-39-6 | Peroxide, bis[4-(trichloromethyl)benzoyl]
CAS No: 77898-39-6 Catalog No: AG0056W2 MDL No:
Product Description
Catalog Number:
AG0056W2
Chemical Name:
Peroxide, bis[4-(trichloromethyl)benzoyl]
CAS Number:
77898-39-6
Molecular Formula:
C16H8Cl6O4
Molecular Weight:
476.9503
IUPAC Name:
[4-(trichloromethyl)benzoyl] 4-(trichloromethyl)benzenecarboperoxoate
InChI:
InChI=1S/C16H8Cl6O4/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-26-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChI Key:
QSRNYKPDCVCAGN-UHFFFAOYSA-N
SMILES:
O=C(c1ccc(cc1)C(Cl)(Cl)Cl)OOC(=O)c1ccc(cc1)C(Cl)(Cl)Cl
Properties
Complexity:
454
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
475.852g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
476.936g/mol
Monoisotopic Mass:
473.855g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
52.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.8
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