methyl (2E)-2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoate

methyl (2E)-2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoate

CAS: 131860-97-4

Formula: C15H13ClN2O4

SMILES: COC=C(C(=O)OC)C1=CC=CC=C1OC1=NC=NC(Cl)=C1

IUPAC: methyl (2E)-2-{2-[(6-chloropyrimidin-4-yl)oxy]phenyl}-3-methoxyprop-2-enoate

InChI: InChI=1S/C15H13ClN2O4/c1-20-8-11(15(19)21-2)10-5-3-4-6-12(10)22-14-7-13(16)17-9-18-14/h3-9H,1-2H3/b11-8+

Composition: C (56.17%), H (4.09%), Cl (11.05%), N (8.73%), O (19.95%)

Molar Mass: 320.73

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	320.0563846
Formal Charge	0
FSP3	0.13
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	YRYZZSRRDCTETP-DHZHZOJOSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.33
Topological Polar Surface Area	70.54
Polarizability	31.28
Ring Count	2
Rotatable Bond Count	6

Suppliers

AA BLOCKS INC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<6 Days	131860-97-4		$6.90-$28.75$6.90$10.35$18.40$28.75