Home Carboxys 5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid

5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid

CAS No.:
1261747-75-4
Catalog Number:
AG01A4CS
Molecular Formula:
C12H7F3O3S
Molecular Weight:
288.2424
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Product Description
Catalog Number:
AG01A4CS
Chemical Name:
5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
CAS Number:
1261747-75-4
Molecular Formula:
C12H7F3O3S
Molecular Weight:
288.2424
MDL Number:
MFCD17142616
IUPAC Name:
5-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxylic acid
InChI:
InChI=1S/C12H7F3O3S/c13-12(14,15)18-8-3-1-2-7(6-8)9-4-5-10(19-9)11(16)17/h1-6H,(H,16,17)
InChI Key:
QXAXDPBEGZAJOF-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc(s1)c1cccc(c1)OC(F)(F)F
Properties
Complexity:
335  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.007g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.24g/mol
Monoisotopic Mass:
288.007g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
74.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3  
Properties