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148639-28-5 | Benzene, 1,2-dibromo-4,5-dihexyl-
CAS No: 148639-28-5 Catalog No: AG001L36 MDL No:
Product Description
Catalog Number:
AG001L36
Chemical Name:
Benzene, 1,2-dibromo-4,5-dihexyl-
CAS Number:
148639-28-5
Molecular Formula:
C18H28Br2
Molecular Weight:
404.2229
IUPAC Name:
1,2-dibromo-4,5-dihexylbenzene
InChI:
InChI=1S/C18H28Br2/c1-3-5-7-9-11-15-13-17(19)18(20)14-16(15)12-10-8-6-4-2/h13-14H,3-12H2,1-2H3
InChI Key:
VGRFTVQEYAEIPF-UHFFFAOYSA-N
SMILES:
CCCCCCc1cc(Br)c(cc1CCCCCC)Br
Properties
Complexity:
206
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
404.054g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
404.23g/mol
Monoisotopic Mass:
402.056g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
9.2
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