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26447-49-4 | Dodecane, hexabromo-
CAS No: 26447-49-4 Catalog No: AG002T8L MDL No:
Product Description
Catalog Number:
AG002T8L
Chemical Name:
Dodecane, hexabromo-
CAS Number:
26447-49-4
Molecular Formula:
C12H20Br6
Molecular Weight:
643.7112
IUPAC Name:
1,1,4,7,10,10-hexabromododecane
InChI:
InChI=1S/C12H20Br6/c1-2-12(17,18)8-7-10(14)4-3-9(13)5-6-11(15)16/h9-11H,2-8H2,1H3
InChI Key:
DQYHBUIHXMLXFA-UHFFFAOYSA-N
SMILES:
BrC(CCCCCCCCCCC(Br)(Br)Br)(Br)Br
EC Number:
247-715-6
Properties
Complexity:
207
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
643.66g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
643.716g/mol
Monoisotopic Mass:
637.667g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
8.1
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