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200713-99-1 | Benzene, 1,4-dibromo-2,5-didecyl-
CAS No: 200713-99-1 Catalog No: AG002CXH MDL No:
Product Description
Catalog Number:
AG002CXH
Chemical Name:
Benzene, 1,4-dibromo-2,5-didecyl-
CAS Number:
200713-99-1
Molecular Formula:
C26H44Br2
Molecular Weight:
516.4356
IUPAC Name:
1,4-dibromo-2,5-didecylbenzene
InChI:
InChI=1S/C26H44Br2/c1-3-5-7-9-11-13-15-17-19-23-21-26(28)24(22-25(23)27)20-18-16-14-12-10-8-6-4-2/h21-22H,3-20H2,1-2H3
InChI Key:
JFEUDGKJBLYWFO-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCc1cc(Br)c(cc1Br)CCCCCCCCCC
Properties
Complexity:
298
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
516.179g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
516.446g/mol
Monoisotopic Mass:
514.181g/mol
Rotatable Bond Count:
18
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
13.6
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