methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate

methyl 2-amino-4-(4-chlorophenyl)thiophene-3-carboxylate

CAS: 350997-10-3

Formula: C12H10ClNO2S

SMILES: COC(=O)C1=C(N)SC=C1C1=CC=C(Cl)C=C1

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

InChI: InChI=1S/C12H10ClNO2S/c1-16-12(15)10-9(6-17-11(10)14)7-2-4-8(13)5-3-7/h2-6H,14H2,1H3

Composition: C (53.84%), H (3.77%), Cl (13.24%), N (5.23%), O (11.95%), S (11.97%)

Molar Mass: 267.73

Atom Count: 27

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	267.0120774
Formal Charge	0
FSP3	0.08
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	MMDGBRSRVRPRMY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.99
Topological Polar Surface Area	52.32
Polarizability	27.37
Ring Count	2
Rotatable Bond Count	3

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