N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide

N-[5-(6-chloro-2,2-difluoro-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide

CAS: 1713240-67-5

Formula: C19H11ClF3N3O3

SMILES: CC1=C(C(=O)NC2=NC=C(N=C2)C2=C(Cl)C=C3OC(F)(F)OC3=C2)C(F)=CC=C1

IUPAC: N-[5-(6-chloro-2,2-difluoro-2H-1,3-benzodioxol-5-yl)pyrazin-2-yl]-2-fluoro-6-methylbenzamide

InChI: InChI=1S/C19H11ClF3N3O3/c1-9-3-2-4-12(21)17(9)18(27)26-16-8-24-13(7-25-16)10-5-14-15(6-11(10)20)29-19(22,23)28-14/h2-8H,1H3,(H,25,26,27)

Composition: C (54.11%), H (2.63%), Cl (8.41%), F (13.51%), N (9.96%), O (11.38%)

Molar Mass: 421.76

Atom Count: 40

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	421.0441034
Formal Charge	0
FSP3	0.11
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	QQMKTHUGOQDEIL-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	96.25
Topological Polar Surface Area	73.34
Polarizability	37.5
Ring Count	4
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
99.96%	<7 Days	1713240-67-5		$146.80-$874.23$146.80$308.55$514.25$874.23