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119264-58-3 | 1,1'-Biphenyl, 2,2',3,4',5,6,6'-heptabromo-
CAS No: 119264-58-3 Catalog No: AG000IHD MDL No:
Product Description
Catalog Number:
AG000IHD
Chemical Name:
1,1'-Biphenyl, 2,2',3,4',5,6,6'-heptabromo-
CAS Number:
119264-58-3
Molecular Formula:
C12H3Br7
Molecular Weight:
706.4802
IUPAC Name:
1,2,4,5-tetrabromo-3-(2,4,6-tribromophenyl)benzene
InChI:
InChI=1S/C12H3Br7/c13-4-1-5(14)9(6(15)2-4)10-11(18)7(16)3-8(17)12(10)19/h1-3H
InChI Key:
TVKXXBLCBLCNCE-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)Br)c1c(Br)c(Br)cc(c1Br)Br
UNII:
Y5NNL63TKK
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
705.446g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
706.484g/mol
Monoisotopic Mass:
699.452g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.4
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