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82865-89-2 | 2,2',3,3',4,4'-HEXABROMO-1,1'-BIPHENYL
CAS No: 82865-89-2 Catalog No: AG004WJQ MDL No:
Product Description
Catalog Number:
AG004WJQ
Chemical Name:
2,2',3,3',4,4'-HEXABROMO-1,1'-BIPHENYL
CAS Number:
82865-89-2
Molecular Formula:
C12H4Br6
Molecular Weight:
627.5842
IUPAC Name:
1,2,3-tribromo-4-(2,3,4-tribromophenyl)benzene
InChI:
InChI=1S/C12H4Br6/c13-7-3-1-5(9(15)11(7)17)6-2-4-8(14)12(18)10(6)16/h1-4H
InChI Key:
PTJQVJQAZSLKJO-UHFFFAOYSA-N
SMILES:
Brc1c(ccc(c1Br)Br)c1ccc(c(c1Br)Br)Br
UNII:
DVU362DL6H
Properties
Complexity:
258
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
627.535g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
627.588g/mol
Monoisotopic Mass:
621.541g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.7
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