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125426-34-8 | Decane, 6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
CAS No: 125426-34-8 Catalog No: AG000NPE MDL No:
Product Description
Catalog Number:
AG000NPE
Chemical Name:
Decane, 6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)-
CAS Number:
125426-34-8
Molecular Formula:
C12H12BrF13
Molecular Weight:
483.1069
IUPAC Name:
6-bromo-1,1,1,2,2,3,3-heptafluoro-4,4-bis(trifluoromethyl)decane
InChI:
InChI=1S/C12H12BrF13/c1-2-3-4-6(13)5-7(10(18,19)20,11(21,22)23)8(14,15)9(16,17)12(24,25)26/h6H,2-5H2,1H3
InChI Key:
NEIKWHFTYRPVOG-UHFFFAOYSA-N
SMILES:
CCCCC(CC(C(C(C(F)(F)F)(F)F)(F)F)(C(F)(F)F)C(F)(F)F)Br
Properties
Complexity:
445
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
481.991g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
13
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
483.111g/mol
Monoisotopic Mass:
481.991g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
8
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