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70728-89-1 | 2-Bromo-4,4'-di-tert-butyl-1,1'-biphenyl
CAS No: 70728-89-1 Catalog No: AG0036KG MDL No:MFCD20921696
Product Description
Catalog Number:
AG0036KG
Chemical Name:
2-Bromo-4,4'-di-tert-butyl-1,1'-biphenyl
CAS Number:
70728-89-1
Molecular Formula:
C20H25Br
Molecular Weight:
345.3165
MDL Number:
MFCD20921696
IUPAC Name:
2-bromo-4-tert-butyl-1-(4-tert-butylphenyl)benzene
InChI:
InChI=1S/C20H25Br/c1-19(2,3)15-9-7-14(8-10-15)17-12-11-16(13-18(17)21)20(4,5)6/h7-13H,1-6H3
InChI Key:
OPPSYCGZHQVDPM-UHFFFAOYSA-N
SMILES:
Brc1cc(ccc1c1ccc(cc1)C(C)(C)C)C(C)(C)C
Properties
Complexity:
325
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
344.114g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
345.324g/mol
Monoisotopic Mass:
344.114g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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