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methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate

methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate

CAS: 691393-97-2

Formula: C14H15NO3S

SMILES: CCOC1=CC=C(C=C1)C1=CC(N)=C(S1)C(=O)OC

IUPAC: methyl 3-amino-5-(4-ethoxyphenyl)thiophene-2-carboxylate

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

Composition: C (60.63%), H (5.45%), N (5.05%), O (17.31%), S (11.56%)

Molar Mass: 277.34

Atom Count: 34

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 277.077264521
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KOGXJKJPBBNEFK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 75.81
Topological Polar Surface Area 61.55
Polarizability 29.85
Ring Count 2
Rotatable Bond Count 5

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