2-chloro-N-{4-[(trifluoromethyl)sulfanyl]phenyl}acetamide

2-chloro-N-{4-[(trifluoromethyl)sulfanyl]phenyl}acetamide

CAS: 1024136-80-8

Formula: C9H7ClF3NOS

SMILES: FC(F)(F)SC1=CC=C(NC(=O)CCl)C=C1

IUPAC: 2-chloro-N-{4-[(trifluoromethyl)sulfanyl]phenyl}acetamide

InChI: InChI=1S/C9H7ClF3NOS/c10-5-8(15)14-6-1-3-7(4-2-6)16-9(11,12)13/h1-4H,5H2,(H,14,15)

Composition: C (40.09%), H (2.62%), Cl (13.15%), F (21.14%), N (5.19%), O (5.93%), S (11.89%)

Molar Mass: 269.67

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	268.9888972
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	QCBZCIGRFCJKGL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.66
Topological Polar Surface Area	29.1
Polarizability	21.43
Ring Count	1
Rotatable Bond Count	4

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90%	<2 Days	1024136-80-8		$51.35-$86.31$51.35$63.37$86.31