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1260806-92-5 | Butanoic acid, 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)-
CAS No: 1260806-92-5 Catalog No: AG000RBW MDL No:MFCD11846762
Product Description
Catalog Number:
AG000RBW
Chemical Name:
Butanoic acid, 4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)-
CAS Number:
1260806-92-5
Molecular Formula:
C6H6F6O2
Molecular Weight:
224.1011
MDL Number:
MFCD11846762
IUPAC Name:
4,4,4-trifluoro-2-(2,2,2-trifluoroethyl)butanoic acid
InChI:
InChI=1S/C6H6F6O2/c7-5(8,9)1-3(4(13)14)2-6(10,11)12/h3H,1-2H2,(H,13,14)
InChI Key:
JSIVGDDISROWJJ-UHFFFAOYSA-N
SMILES:
OC(=O)C(CC(F)(F)F)CC(F)(F)F
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.027g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.102g/mol
Monoisotopic Mass:
224.027g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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