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methyl 2-(2-chloroacetamido)-4-(4-methylphenyl)thiophene-3-carboxylate

methyl 2-(2-chloroacetamido)-4-(4-methylphenyl)thiophene-3-carboxylate

CAS: 519016-63-8

Formula: C15H14ClNO3S

SMILES: COC(=O)C1=C(NC(=O)CCl)SC=C1C1=CC=C(C)C=C1

IUPAC: methyl 2-(2-chloroacetamido)-4-(4-methylphenyl)thiophene-3-carboxylate

InChI: InChI=1S/C15H14ClNO3S/c1-9-3-5-10(6-4-9)11-8-21-14(17-12(18)7-16)13(11)15(19)20-2/h3-6,8H,7H2,1-2H3,(H,17,18)

Composition: C (55.64%), H (4.36%), Cl (10.95%), N (4.33%), O (14.82%), S (9.90%)

Molar Mass: 323.79

Atom Count: 35

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 323.0382922
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey FBGRLHHCTXFOQP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 84.14
Topological Polar Surface Area 55.4
Polarizability 32.86
Ring Count 2
Rotatable Bond Count 5

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