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1187164-06-2 | Ethyl 5-(Isoquinolin-4-yl)thiophene-2-carboxylate
CAS No: 1187164-06-2 Catalog No: AG01F96R MDL No:
Product Description
Catalog Number:
AG01F96R
Chemical Name:
Ethyl 5-(Isoquinolin-4-yl)thiophene-2-carboxylate
CAS Number:
1187164-06-2
Molecular Formula:
C16H13NO2S
Molecular Weight:
283.3449
IUPAC Name:
ethyl 5-isoquinolin-4-ylthiophene-2-carboxylate
InChI:
InChI=1S/C16H13NO2S/c1-2-19-16(18)15-8-7-14(20-15)13-10-17-9-11-5-3-4-6-12(11)13/h3-10H,2H2,1H3
InChI Key:
GUNVARJGUVVVGC-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(s1)c1cncc2c1cccc2
Properties
Complexity:
349
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
283.067g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
283.345g/mol
Monoisotopic Mass:
283.067g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
67.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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