ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate

ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate

CAS: 305834-79-1

Formula: C17H17ClN2O5

SMILES: CCOC(=O)C(C#N)C1C2=CC(Cl)=CC=C2OC(N)=C1C(=O)OCC

IUPAC: ethyl 2-amino-6-chloro-4-(1-cyano-2-ethoxy-2-oxoethyl)-4H-chromene-3-carboxylate

InChI: InChI=1/C17H17ClN2O5/c1-3-23-16(21)11(8-19)13-10-7-9(18)5-6-12(10)25-15(20)14(13)17(22)24-4-2/h5-7,11,13H,3-4,20H2,1-2H3

Composition: C (55.98%), H (4.70%), Cl (9.72%), N (7.68%), O (21.93%)

Molar Mass: 364.78

Atom Count: 42

Heavy Atom Count: 25

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	364.0825994
Formal Charge	0
FSP3	0.35
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	DXVKFBGVVRSOLI-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	99.39
Topological Polar Surface Area	111.64
Polarizability	34.78
Ring Count	2
Rotatable Bond Count	7

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Molnova Chemicals

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<4 Days	305834-79-1		$42.04-$438.77$42.04$65.74$118.48$191.10$283.59$438.77