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88639-54-7 | Heptane, 1,1,1,3,5,7-hexachloro-2,2,3,4,4,5,6,6,7-nonafluoro-7-iodo-
CAS No: 88639-54-7 Catalog No: AG0049ED MDL No:
Product Description
Catalog Number:
AG0049ED
Chemical Name:
Heptane, 1,1,1,3,5,7-hexachloro-2,2,3,4,4,5,6,6,7-nonafluoro-7-iodo-
CAS Number:
88639-54-7
Molecular Formula:
C7Cl6F9I
Molecular Weight:
594.6830
IUPAC Name:
1,1,1,3,5,7-hexachloro-2,2,3,4,4,5,6,6,7-nonafluoro-7-iodoheptane
InChI:
InChI=1S/C7Cl6F9I/c8-1(14,4(18,19)6(10,11)12)3(16,17)2(9,15)5(20,21)7(13,22)23
InChI Key:
DNZLDFWBQFQRAG-UHFFFAOYSA-N
SMILES:
FC(C(C(C(C(C(I)(Cl)F)(F)F)(Cl)F)(F)F)(Cl)F)(C(Cl)(Cl)Cl)F
Properties
Complexity:
472
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
593.7g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
594.667g/mol
Monoisotopic Mass:
591.703g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
3
Undefined Bond Stereocenter Count:
0
XLogP3:
7.6
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