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189244-65-3 | Pentane, 1-chloro-2,2,3,3,4,4,5,5-octafluoro-1-isocyanato-
CAS No: 189244-65-3 Catalog No: AG002I4B MDL No:
Product Description
Catalog Number:
AG002I4B
Chemical Name:
Pentane, 1-chloro-2,2,3,3,4,4,5,5-octafluoro-1-isocyanato-
CAS Number:
189244-65-3
Molecular Formula:
C6H2ClF8NO
Molecular Weight:
291.5264
IUPAC Name:
1-chloro-2,2,3,3,4,4,5,5-octafluoro-1-isocyanatopentane
InChI:
InChI=1S/C6H2ClF8NO/c7-2(16-1-17)4(10,11)6(14,15)5(12,13)3(8)9/h2-3H
InChI Key:
GRHQVVSBXQFBJU-UHFFFAOYSA-N
SMILES:
ClC(C(C(C(C(F)F)(F)F)(F)F)(F)F)N=C=O
Properties
Complexity:
326
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
290.97g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.525g/mol
Monoisotopic Mass:
290.97g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.6
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