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119264-51-6 | 1,1'-Biphenyl, 2,2',3,3',5,6'-hexabromo-
CAS No: 119264-51-6 Catalog No: AG000IGC MDL No:
Product Description
Catalog Number:
AG000IGC
Chemical Name:
1,1'-Biphenyl, 2,2',3,3',5,6'-hexabromo-
CAS Number:
119264-51-6
Molecular Formula:
C12H4Br6
Molecular Weight:
627.5842
IUPAC Name:
1,2,4-tribromo-3-(2,3,5-tribromophenyl)benzene
InChI:
InChI=1S/C12H4Br6/c13-5-3-6(11(17)9(16)4-5)10-7(14)1-2-8(15)12(10)18/h1-4H
InChI Key:
GZMBPIKAXBKPFU-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)c1c(Br)ccc(c1Br)Br)Br
UNII:
J9O096KMRS
Properties
Complexity:
286
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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