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137788-48-8 | 2-Butanol, 3,3-dichloro-1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)-
CAS No: 137788-48-8 Catalog No: AG0013UV MDL No:
Product Description
Catalog Number:
AG0013UV
Chemical Name:
2-Butanol, 3,3-dichloro-1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)-
CAS Number:
137788-48-8
Molecular Formula:
C5HCl2F9O
Molecular Weight:
318.9525
IUPAC Name:
3,3-dichloro-1,1,1,4,4,4-hexafluoro-2-(trifluoromethyl)butan-2-ol
InChI:
InChI=1S/C5HCl2F9O/c6-2(7,5(14,15)16)1(17,3(8,9)10)4(11,12)13/h17H
InChI Key:
SSWWHKBNDZALKW-UHFFFAOYSA-N
SMILES:
FC(C(C(C(F)(F)F)(Cl)Cl)(C(F)(F)F)O)(F)F
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.926g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
10
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
318.948g/mol
Monoisotopic Mass:
317.926g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
20.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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