4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine

4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine

CAS: 155957-47-4

Formula: C6H4ClF3N2O

SMILES: FC(F)(F)COC1=NC=NC(Cl)=C1

IUPAC: 4-chloro-6-(2,2,2-trifluoroethoxy)pyrimidine

InChI: InChI=1S/C6H4ClF3N2O/c7-4-1-5(12-3-11-4)13-2-6(8,9)10/h1,3H,2H2

Composition: C (33.90%), H (1.90%), Cl (16.68%), F (26.81%), N (13.18%), O (7.53%)

Molar Mass: 212.56

Atom Count: 17

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	211.9964249
Formal Charge	0
FSP3	0.33
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	CJTDPEZNGURNJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	40.82
Topological Polar Surface Area	35.01
Polarizability	14.62
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	155957-47-4		$70.62$70.62