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853234-55-6 | 4,4''-Dibromo-2',5'-dimethyl-1,1':4',1''-terphenyl
CAS No: 853234-55-6 Catalog No: AG003FVZ MDL No:MFCD11855950
Product Description
Catalog Number:
AG003FVZ
Chemical Name:
4,4''-Dibromo-2',5'-dimethyl-1,1':4',1''-terphenyl
CAS Number:
853234-55-6
Molecular Formula:
C20H16Br2
Molecular Weight:
416.1490
MDL Number:
MFCD11855950
IUPAC Name:
1,4-bis(4-bromophenyl)-2,5-dimethylbenzene
InChI:
InChI=1S/C20H16Br2/c1-13-11-20(16-5-9-18(22)10-6-16)14(2)12-19(13)15-3-7-17(21)8-4-15/h3-12H,1-2H3
InChI Key:
DLTBZPUNQPKBQY-UHFFFAOYSA-N
SMILES:
Cc1cc(c(cc1c1ccc(cc1)Br)C)c1ccc(cc1)Br
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
415.96g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
416.156g/mol
Monoisotopic Mass:
413.962g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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