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15854-08-7 | 3-Thiophenecarboxylic acid, 2-amino-4-(4-methylphenyl)-, ethyl ester
CAS No: 15854-08-7 Catalog No: AG001Q9U MDL No:MFCD01827729
Product Description
Catalog Number:
AG001Q9U
Chemical Name:
3-Thiophenecarboxylic acid, 2-amino-4-(4-methylphenyl)-, ethyl ester
CAS Number:
15854-08-7
Molecular Formula:
C14H15NO2S
Molecular Weight:
261.3394
MDL Number:
MFCD01827729
IUPAC Name:
ethyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate
InChI:
InChI=1S/C14H15NO2S/c1-3-17-14(16)12-11(8-18-13(12)15)10-6-4-9(2)5-7-10/h4-8H,3,15H2,1-2H3
InChI Key:
GOQSMGNEJVWZIG-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1c(N)scc1c1ccc(cc1)C
Properties
Complexity:
290
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
261.082g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
261.339g/mol
Monoisotopic Mass:
261.082g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
80.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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