4-(3,4-dichlorophenyl)-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride

4-(3,4-dichlorophenyl)-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride

CAS: 1431965-17-1

Formula: C15H15Cl4F3N4

SMILES: Cl.Cl.FC(F)(F)C1=CC(=NC(=N1)N1CCNCC1)C1=CC=C(Cl)C(Cl)=C1

IUPAC: 4-(3,4-dichlorophenyl)-2-(piperazin-1-yl)-6-(trifluoromethyl)pyrimidine dihydrochloride

InChI: InChI=1S/C15H13Cl2F3N4.2ClH/c16-10-2-1-9(7-11(10)17)12-8-13(15(18,19)20)23-14(22-12)24-5-3-21-4-6-24;;/h1-2,7-8,21H,3-6H2;2*1H

Composition: C (40.03%), H (3.36%), Cl (31.50%), F (12.66%), N (12.45%)

Molar Mass: 450.11

Atom Count: 41

Heavy Atom Count: 26

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	448.0002918
Formal Charge	0
FSP3	0.33
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	DKJRZEBKBALWJL-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	87.83
Topological Polar Surface Area	41.05
Polarizability	33.68
Ring Count	3
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<7 Days	1431965-17-1		$416.00$416.00