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77758-95-3 | Propanoicacid, 2-[(1,1,2,2,2-pentafluoroethyl)thio]-
CAS No: 77758-95-3 Catalog No: AG0057SG MDL No:
Product Description
Catalog Number:
AG0057SG
Chemical Name:
Propanoicacid, 2-[(1,1,2,2,2-pentafluoroethyl)thio]-
CAS Number:
77758-95-3
Molecular Formula:
C5H5F5O2S
Molecular Weight:
224.1490
IUPAC Name:
2-(1,1,2,2,2-pentafluoroethylsulfanyl)propanoic acid
InChI:
InChI=1S/C5H5F5O2S/c1-2(3(11)12)13-5(9,10)4(6,7)8/h2H,1H3,(H,11,12)
InChI Key:
QNNWIUVRKQTQFX-UHFFFAOYSA-N
SMILES:
CC(C(=O)O)SC(C(F)(F)F)(F)F
Properties
Complexity:
202
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.993g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
224.145g/mol
Monoisotopic Mass:
223.993g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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