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119965-41-2 | Benzene, tetrabromo[2-(tetrabromophenoxy)ethyl]- (9CI)
CAS No: 119965-41-2 Catalog No: AG000PWZ MDL No:
Product Description
Catalog Number:
AG000PWZ
Chemical Name:
Benzene, tetrabromo[2-(tetrabromophenoxy)ethyl]- (9CI)
CAS Number:
119965-41-2
Molecular Formula:
C14H6Br8O
Molecular Weight:
829.4288
IUPAC Name:
1,2,3,4-tetrabromo-5-[2-(2,3,4,5-tetrabromophenoxy)ethyl]benzene
InChI:
InChI=1S/C14H6Br8O/c15-6-3-5(9(17)13(21)10(6)18)1-2-23-8-4-7(16)11(19)14(22)12(8)20/h3-4H,1-2H2
InChI Key:
QMCLAQNLEADVIO-UHFFFAOYSA-N
SMILES:
Brc1c(CCOc2cc(Br)c(c(c2Br)Br)Br)cc(c(c1Br)Br)Br
Properties
Complexity:
386
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
829.38g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
829.433g/mol
Monoisotopic Mass:
821.389g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.4
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