benzyl 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

benzyl 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

Formula: C22H17ClFNO4

SMILES: FC1=CC(=CC=C1Cl)N1CC23OC(C=C2)C(C3C1=O)C(=O)OCC1=CC=CC=C1

IUPAC: benzyl 3-(4-chloro-3-fluorophenyl)-4-oxo-10-oxa-3-azatricyclo[5.2.1.0¹,?]dec-8-ene-6-carboxylate

InChI: InChI=1/C22H17ClFNO4/c23-15-7-6-14(10-16(15)24)25-12-22-9-8-17(29-22)18(19(22)20(25)26)21(27)28-11-13-4-2-1-3-5-13/h1-10,17-19H,11-12H2

Composition: C (63.85%), H (4.14%), Cl (8.57%), F (4.59%), N (3.38%), O (15.46%)

Molar Mass: 413.83

Atom Count: 46

Heavy Atom Count: 29

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	4
Exact Mass	413.0830139
Formal Charge	0
FSP3	0.27
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	HOBQGCIXASHARF-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	104.13
Topological Polar Surface Area	55.84
Polarizability	40.19
Ring Count	5
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C22H17ClFNO4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00