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830329-11-8 | Benzene, 1,3,5-tribromo-2-(1,1-dibromoethoxy)-
CAS No: 830329-11-8 Catalog No: AG004XVE MDL No:
Product Description
Catalog Number:
AG004XVE
Chemical Name:
Benzene, 1,3,5-tribromo-2-(1,1-dibromoethoxy)-
CAS Number:
830329-11-8
Molecular Formula:
C8H5Br5O
Molecular Weight:
516.6447
IUPAC Name:
1,3,5-tribromo-2-(1,1-dibromoethoxy)benzene
InChI:
InChI=1S/C8H5Br5O/c1-8(12,13)14-7-5(10)2-4(9)3-6(7)11/h2-3H,1H3
InChI Key:
WASMOWWWEYKKDO-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)OC(Br)(Br)C
Properties
Complexity:
186
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
515.622g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.647g/mol
Monoisotopic Mass:
511.626g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
9.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.1
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