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119264-54-9 | 1,1'-Biphenyl, 2,2',3,3',5,5',6-heptabromo-
CAS No: 119264-54-9 Catalog No: AG000IHH MDL No:
Product Description
Catalog Number:
AG000IHH
Chemical Name:
1,1'-Biphenyl, 2,2',3,3',5,5',6-heptabromo-
CAS Number:
119264-54-9
Molecular Formula:
C12H3Br7
Molecular Weight:
706.4802
IUPAC Name:
1,2,4,5-tetrabromo-3-(2,3,5-tribromophenyl)benzene
InChI:
InChI=1S/C12H3Br7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H
InChI Key:
DIMYEFPFSWJMHA-UHFFFAOYSA-N
SMILES:
Brc1cc(Br)c(c(c1)c1c(Br)c(Br)cc(c1Br)Br)Br
UNII:
K3Q81ZB6XZ
Properties
Complexity:
299
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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