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1261936-09-7 | 2-Thiophenecarboxylic acid, 4-(3-fluoro-5-hydroxyphenyl)-
CAS No: 1261936-09-7 Catalog No: AG000S7I MDL No:MFCD18313817
Product Description
Catalog Number:
AG000S7I
Chemical Name:
2-Thiophenecarboxylic acid, 4-(3-fluoro-5-hydroxyphenyl)-
CAS Number:
1261936-09-7
Molecular Formula:
C11H7FO3S
Molecular Weight:
238.2349
MDL Number:
MFCD18313817
IUPAC Name:
4-(3-fluoro-5-hydroxyphenyl)thiophene-2-carboxylic acid
InChI:
InChI=1S/C11H7FO3S/c12-8-1-6(2-9(13)4-8)7-3-10(11(14)15)16-5-7/h1-5,13H,(H,14,15)
InChI Key:
UUTMQRCQJZKQLM-UHFFFAOYSA-N
SMILES:
Oc1cc(F)cc(c1)c1csc(c1)C(=O)O
Properties
Complexity:
274
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.01g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.232g/mol
Monoisotopic Mass:
238.01g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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