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180404-94-8 | 1,1'-Biphenyl, 2,2',6,6'-tetrabromo-4,4'-bis(1,1-dimethylethyl)-
CAS No: 180404-94-8 Catalog No: AG0021ZN MDL No:
Product Description
Catalog Number:
AG0021ZN
Chemical Name:
1,1'-Biphenyl, 2,2',6,6'-tetrabromo-4,4'-bis(1,1-dimethylethyl)-
CAS Number:
180404-94-8
Molecular Formula:
C20H22Br4
Molecular Weight:
582.0047
IUPAC Name:
1,3-dibromo-5-tert-butyl-2-(2,6-dibromo-4-tert-butylphenyl)benzene
InChI:
InChI=1S/C20H22Br4/c1-19(2,3)11-7-13(21)17(14(22)8-11)18-15(23)9-12(10-16(18)24)20(4,5)6/h7-10H,1-6H3
InChI Key:
VDOYAZSQMJGOTK-UHFFFAOYSA-N
SMILES:
CC(c1cc(Br)c(c(c1)Br)c1c(Br)cc(cc1Br)C(C)(C)C)(C)C
Properties
Complexity:
358
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
581.841g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
582.012g/mol
Monoisotopic Mass:
577.846g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.7
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