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Home > Fluorides > 144691-44-1
144691-44-1 | 1,3-Oxathiolane, 2-(2,2,2-trifluoroethyl)- (9CI)
CAS No: 144691-44-1 Catalog No: AG001K03 MDL No:
Product Description
Catalog Number:
AG001K03
Chemical Name:
1,3-Oxathiolane, 2-(2,2,2-trifluoroethyl)- (9CI)
CAS Number:
144691-44-1
Molecular Formula:
C5H7F3OS
Molecular Weight:
172.1687
IUPAC Name:
2-(2,2,2-trifluoroethyl)-1,3-oxathiolane
InChI:
InChI=1S/C5H7F3OS/c6-5(7,8)3-4-9-1-2-10-4/h4H,1-3H2
InChI Key:
XXFPHRBUJITJAN-UHFFFAOYSA-N
SMILES:
FC(CC1OCCS1)(F)F
Properties
Complexity:
114
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.017g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.165g/mol
Monoisotopic Mass:
172.017g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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