2-chloro-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}acetamide

2-chloro-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}acetamide

CAS: 866152-47-8

Formula: C16H13ClN2O3

SMILES: CC1=CC=C2NC(=O)C3=C(OC2=C1)C=CC(NC(=O)CCl)=C3

IUPAC: 2-chloro-N-{5-methyl-10-oxo-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3,5,7,12,14-hexaen-13-yl}acetamide

InChI: InChI=1S/C16H13ClN2O3/c1-9-2-4-12-14(6-9)22-13-5-3-10(18-15(20)8-17)7-11(13)16(21)19-12/h2-7H,8H2,1H3,(H,18,20)(H,19,21)

Composition: C (60.67%), H (4.14%), Cl (11.19%), N (8.84%), O (15.15%)

Molar Mass: 316.74

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	316.06147
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	2
InChIKey	MCYVKFXWVMREIA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.43
Topological Polar Surface Area	67.43
Polarizability	31.45
Ring Count	3
Rotatable Bond Count	2

Suppliers

Key Organics Ltd

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	866152-47-8		$51.35-$86.31$51.35$63.37$86.31