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Home > Fluorides > 116524-31-3
116524-31-3 | Benzamide, 4-fluoro-N-[1-(2-thienyl)ethyl]-
CAS No: 116524-31-3 Catalog No: AG000COU MDL No:
Product Description
Catalog Number:
AG000COU
Chemical Name:
Benzamide, 4-fluoro-N-[1-(2-thienyl)ethyl]-
CAS Number:
116524-31-3
Molecular Formula:
C13H12FNOS
Molecular Weight:
249.3039
IUPAC Name:
4-fluoro-N-(1-thiophen-2-ylethyl)benzamide
InChI:
InChI=1S/C13H12FNOS/c1-9(12-3-2-8-17-12)15-13(16)10-4-6-11(14)7-5-10/h2-9H,1H3,(H,15,16)
InChI Key:
QGVJVOMCMITTGH-UHFFFAOYSA-N
SMILES:
Fc1ccc(cc1)C(=O)NC(c1cccs1)C
Properties
Complexity:
266
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
249.062g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
249.303g/mol
Monoisotopic Mass:
249.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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