ethyl 3-(cyclopropylamino)-2-(2,4-dichloro-3-methylbenzoyl)prop-2-enoate

ethyl 3-(cyclopropylamino)-2-(2,4-dichloro-3-methylbenzoyl)prop-2-enoate

CAS: 103877-38-9

Formula: C16H17Cl2NO3

SMILES: CCOC(=O)C(=CNC1CC1)C(=O)C1=CC=C(Cl)C(C)=C1Cl

IUPAC: ethyl 3-(cyclopropylamino)-2-(2,4-dichloro-3-methylbenzoyl)prop-2-enoate

InChI: InChI=1S/C16H17Cl2NO3/c1-3-22-16(21)12(8-19-10-4-5-10)15(20)11-6-7-13(17)9(2)14(11)18/h6-8,10,19H,3-5H2,1-2H3

Composition: C (56.16%), H (5.01%), Cl (20.72%), N (4.09%), O (14.03%)

Molar Mass: 342.22

Atom Count: 39

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	341.0585488
Formal Charge	0
FSP3	0.37
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	KSBMPFPQEAPWJB-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	86.97
Topological Polar Surface Area	55.4
Polarizability	33.47
Ring Count	2
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<5 Days	103877-38-9		$18.92-$216.89$18.92$68.09$216.89