ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

CAS: 91076-94-7

Formula: C13H12ClNO2S

SMILES: CCOC(=O)C1=C(N)C=C(S1)C1=CC=C(Cl)C=C1

IUPAC: ethyl 3-amino-5-(4-chlorophenyl)thiophene-2-carboxylate

InChI: InChI=1S/C13H12ClNO2S/c1-2-17-13(16)12-10(15)7-11(18-12)8-3-5-9(14)6-4-8/h3-7H,2,15H2,1H3

Composition: C (55.42%), H (4.29%), Cl (12.58%), N (4.97%), O (11.36%), S (11.38%)

Molar Mass: 281.75

Atom Count: 30

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	281.0277275
Formal Charge	0
FSP3	0.15
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	VOIKQRXCKXHXNF-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.15
Topological Polar Surface Area	52.32
Polarizability	29.2
Ring Count	2
Rotatable Bond Count	4

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