5-chloro-2-(trifluoromethyl)benzamide

5-chloro-2-(trifluoromethyl)benzamide

CAS: 654-94-4

Formula: C8H5ClF3NO

SMILES: NC(=O)C1=C(C=CC(Cl)=C1)C(F)(F)F

IUPAC: 5-chloro-2-(trifluoromethyl)benzamide

InChI: InChI=1S/C8H5ClF3NO/c9-4-1-2-6(8(10,11)12)5(3-4)7(13)14/h1-3H,(H2,13,14)

Composition: C (42.98%), H (2.25%), Cl (15.86%), F (25.49%), N (6.26%), O (7.16%)

Molar Mass: 223.58

Atom Count: 19

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	223.001176
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	GHXSHBPNICIQJS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	45.91
Topological Polar Surface Area	43.09
Polarizability	16.47
Ring Count	1
Rotatable Bond Count	2

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90%	<2 Days	654-94-4		$51.35-$86.31$51.35$63.37$86.31