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100421-52-1 | 2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester
CAS No: 100421-52-1 Catalog No: AG0001XY MDL No:MFCD16606491
Product Description
Catalog Number:
AG0001XY
Chemical Name:
2-Thiophenecarboxylic acid, 3-fluoro-, methyl ester
CAS Number:
100421-52-1
Molecular Formula:
C6H5FO2S
Molecular Weight:
160.1661
MDL Number:
MFCD16606491
IUPAC Name:
methyl 3-fluorothiophene-2-carboxylate
InChI:
InChI=1S/C6H5FO2S/c1-9-6(8)5-4(7)2-3-10-5/h2-3H,1H3
InChI Key:
UKIUEFZYSXIGPY-UHFFFAOYSA-N
SMILES:
COC(=O)c1sccc1F
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
159.999g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
160.162g/mol
Monoisotopic Mass:
159.999g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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