ethyl 3-chloro-4-(trifluoromethyl)pyridine-2-carboxylate

ethyl 3-chloro-4-(trifluoromethyl)pyridine-2-carboxylate

CAS: 1198475-44-3

Formula: C9H7ClF3NO2

SMILES: CCOC(=O)C1=C(Cl)C(=CC=N1)C(F)(F)F

IUPAC: ethyl 3-chloro-4-(trifluoromethyl)pyridine-2-carboxylate

InChI: InChI=1S/C9H7ClF3NO2/c1-2-16-8(15)7-6(10)5(3-4-14-7)9(11,12)13/h3-4H,2H2,1H3

Composition: C (42.62%), H (2.78%), Cl (13.98%), F (22.47%), N (5.52%), O (12.62%)

Molar Mass: 253.61

Atom Count: 23

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.0117407
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ROJKBWWCJIQXQB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	51.08
Topological Polar Surface Area	39.19
Polarizability	19.09
Ring Count	1
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	1198475-44-3		$51.35-$712.31$51.35$63.37$86.31$442.46$712.31