Home Other Building Blocks 5-Trifluoromethyl-3-hydroxythiophene

5-Trifluoromethyl-3-hydroxythiophene

CAS No.:
217959-45-0
Catalog Number:
AG0037JU
Molecular Formula:
C5H3F3OS
Molecular Weight:
168.1369
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Product Description
Catalog Number:
AG0037JU
Chemical Name:
5-Trifluoromethyl-3-hydroxythiophene
CAS Number:
217959-45-0
Molecular Formula:
C5H3F3OS
Molecular Weight:
168.1369
MDL Number:
MFCD07779810
IUPAC Name:
5-(trifluoromethyl)thiophen-3-ol
InChI:
InChI=1S/C5H3F3OS/c6-5(7,8)4-1-3(9)2-10-4/h1-2,9H
InChI Key:
JFSLKQBFXHGCHW-UHFFFAOYSA-N
SMILES:
FC(c1scc(c1)O)(F)F
Properties
Complexity:
125  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
167.986g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
168.133g/mol
Monoisotopic Mass:
167.986g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
48.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2  
Properties