13-chloro-2-fluoro-2-(piperidin-4-yl)-4-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaene

13-chloro-2-fluoro-2-(piperidin-4-yl)-4-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaene

CAS: 298220-99-2

Formula: C19H20ClFN2

SMILES: FC1(C2CCNCC2)C2=C(CCC3=CC=CN=C13)C=C(Cl)C=C2

IUPAC: 13-chloro-2-fluoro-2-(piperidin-4-yl)-4-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaene

InChI: InChI=1/C19H20ClFN2/c20-16-5-6-17-14(12-16)4-3-13-2-1-9-23-18(13)19(17,21)15-7-10-22-11-8-15/h1-2,5-6,9,12,15,22H,3-4,7-8,10-11H2

Composition: C (68.98%), H (6.09%), Cl (10.72%), F (5.74%), N (8.47%)

Molar Mass: 330.83

Atom Count: 43

Heavy Atom Count: 23

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	1
Exact Mass	330.1299045
Formal Charge	0
FSP3	0.42
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	UTRNCHWURQHTSN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	91.09
Topological Polar Surface Area	24.92
Polarizability	35.2
Ring Count	4
Rotatable Bond Count	1

Suppliers

SPD Chemicals

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<14 Days	298220-99-2		$1,150.00$1,150.00