3-Amino-5-(4-Ethoxyphenyl)Thiophene-2-Carboxylic Acid Methyl Ester - CAS 691393-97-2
Catalog: |
BB075132 |
Product Name: |
3-Amino-5-(4-Ethoxyphenyl)Thiophene-2-Carboxylic Acid Methyl Ester |
CAS: |
691393-97-2 |
Synonyms: |
methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate; 3-Amino-5-(4-ethoxyphenyl)thiophene-2-carboxylic acid methyl ester; Methyl 3-amino-5-(4-ethoxyphenyl)-2-thiophenecarboxylate; 3-AMINO-5-(4-ETHOXYPHENYL)THIOPHENE-2-CARBOXYLICACID METHYL ESTER |
IUPAC Name: | methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate |
Molecular Weight: | 277.34 |
Molecular Formula: | C14H15NO3S |
Canonical SMILES: | CCOC1=CC=C(C=C1)C2=CC(=C(S2)C(=O)OC)N |
InChI: | InChI=1S/C14H15NO3S/c1-3-18-10-6-4-9(5-7-10)12-8-11(15)13(19-12)14(16)17-2/h4-8H,3,15H2,1-2H3 |
InChI Key: | KOGXJKJPBBNEFK-UHFFFAOYSA-N |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.07726451 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.07726451 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 89.8Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.7 |
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