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136340-88-0 | Thiophene-2-carboxylic acid (4-ethyl-phenyl)-amide
CAS No: 136340-88-0 Catalog No: AG01F911 MDL No:
Product Description
Catalog Number:
AG01F911
Chemical Name:
Thiophene-2-carboxylic acid (4-ethyl-phenyl)-amide
CAS Number:
136340-88-0
Molecular Formula:
C13H13NOS
Molecular Weight:
231.3134
IUPAC Name:
N-(4-ethylphenyl)thiophene-2-carboxamide
InChI:
InChI=1S/C13H13NOS/c1-2-10-5-7-11(8-6-10)14-13(15)12-4-3-9-16-12/h3-9H,2H2,1H3,(H,14,15)
InChI Key:
VGVHJESBFMWXJF-UHFFFAOYSA-N
SMILES:
CCc1ccc(cc1)NC(=O)c1cccs1
Properties
Complexity:
236
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.072g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
231.313g/mol
Monoisotopic Mass:
231.072g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
57.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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