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81059-82-7 | 1,3,5-TRIBROMO-1,6-DICHLORONONAFLUOROHEXANE
CAS No: 81059-82-7 Catalog No: AG005HIB MDL No:MFCD02093302
Product Description
Catalog Number:
AG005HIB
Chemical Name:
1,3,5-TRIBROMO-1,6-DICHLORONONAFLUOROHEXANE
CAS Number:
81059-82-7
Molecular Formula:
C6Br3Cl2F9
Molecular Weight:
553.6678
MDL Number:
MFCD02093302
IUPAC Name:
1,3,5-tribromo-1,6-dichloro-1,2,2,3,4,4,5,6,6-nonafluorohexane
InChI:
InChI=1S/C6Br3Cl2F9/c7-1(12,4(16,17)5(9,10)18)3(14,15)2(8,13)6(11,19)20
InChI Key:
QJQQQFAGKHFLNC-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(Br)(Cl)F)(F)F)(Br)F)(F)F)(C(Cl)(F)F)Br
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
551.676g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
553.664g/mol
Monoisotopic Mass:
549.678g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
6.9
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