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methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate

methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate

CAS: 1130344-76-1

Formula: C8H4Cl2F3NO2

SMILES: COC(=O)C1=C(C=C(Cl)N=C1Cl)C(F)(F)F

IUPAC: methyl 2,6-dichloro-4-(trifluoromethyl)pyridine-3-carboxylate

InChI: InChI=1S/C8H4Cl2F3NO2/c1-16-7(15)5-3(8(11,12)13)2-4(9)14-6(5)10/h2H,1H3

Composition: C (35.07%), H (1.47%), Cl (25.87%), F (20.80%), N (5.11%), O (11.68%)

Molar Mass: 274.02

Atom Count: 20

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 272.9571183
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey IYTYTJDDVIXLFF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.63
Topological Polar Surface Area 39.19
Polarizability 19.42
Ring Count 1
Rotatable Bond Count 3

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95% <2 Days 1130344-76-1 $51.35-$2,469.05$51.35$63.37$86.31$524.40$823.75$2,469.05
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