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1227582-56-0 | 2-Thiophenecarboxylic acid, 3-fluoro-, ethyl ester
CAS No: 1227582-56-0 Catalog No: AG000JCR MDL No:
Product Description
Catalog Number:
AG000JCR
Chemical Name:
2-Thiophenecarboxylic acid, 3-fluoro-, ethyl ester
CAS Number:
1227582-56-0
Molecular Formula:
C7H7FO2S
Molecular Weight:
174.1927
IUPAC Name:
ethyl 3-fluorothiophene-2-carboxylate
InChI:
InChI=1S/C7H7FO2S/c1-2-10-7(9)6-5(8)3-4-11-6/h3-4H,2H2,1H3
InChI Key:
CILGCUGNHOISJT-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1sccc1F
Properties
Complexity:
151
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.015g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.189g/mol
Monoisotopic Mass:
174.015g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
54.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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