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84303-46-8 | 3,3',4,4',5-PENTABROMO-1,1'-BIPHENYL
CAS No: 84303-46-8 Catalog No: AG004THN MDL No:
Product Description
Catalog Number:
AG004THN
Chemical Name:
3,3',4,4',5-PENTABROMO-1,1'-BIPHENYL
CAS Number:
84303-46-8
Molecular Formula:
C12H5Br5
Molecular Weight:
548.6881
IUPAC Name:
1,2,3-tribromo-5-(3,4-dibromophenyl)benzene
InChI:
InChI=1S/C12H5Br5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
InChI Key:
DGTPXLZCUVCFEH-UHFFFAOYSA-N
SMILES:
Brc1ccc(cc1Br)c1cc(Br)c(c(c1)Br)Br
UNII:
3C2CCM3WSI
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
547.627g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
548.692g/mol
Monoisotopic Mass:
543.631g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7
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