4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

Formula: C22H18ClNO3

SMILES: CC1=CC=C(OC2=CC=C(C=C2Cl)N2C(=O)C3C4CC(C=C4)C3C2=O)C=C1

IUPAC: 4-[3-chloro-4-(4-methylphenoxy)phenyl]-4-azatricyclo[5.2.1.0²,?]dec-8-ene-3,5-dione

InChI: InChI=1/C22H18ClNO3/c1-12-2-7-16(8-3-12)27-18-9-6-15(11-17(18)23)24-21(25)19-13-4-5-14(10-13)20(19)22(24)26/h2-9,11,13-14,19-20H,10H2,1H3

Composition: C (69.57%), H (4.78%), Cl (9.33%), N (3.69%), O (12.64%)

Molar Mass: 379.84

Atom Count: 45

Heavy Atom Count: 27

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	379.0975211
Formal Charge	0
FSP3	0.27
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JEDVWJZXOSCSDV-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	103.4
Topological Polar Surface Area	46.61
Polarizability	39.72
Ring Count	5
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H18ClNO3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00