4-chlorophenyl 1-ethyl 2-ethylpropanedioate

4-chlorophenyl 1-ethyl 2-ethylpropanedioate

CAS: 19677-37-3

Formula: C13H15ClO4

SMILES: CCOC(=O)C(CC)C(=O)OC1=CC=C(Cl)C=C1

IUPAC: 4-chlorophenyl 1-ethyl 2-ethylpropanedioate

InChI: InChI=1/C13H15ClO4/c1-3-11(12(15)17-4-2)13(16)18-10-7-5-9(14)6-8-10/h5-8,11H,3-4H2,1-2H3

Composition: C (57.68%), H (5.59%), Cl (13.10%), O (23.64%)

Molar Mass: 270.71

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	270.0658867
Formal Charge	0
FSP3	0.38
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JVEHQJLLZAOTJH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	67.03
Topological Polar Surface Area	52.6
Polarizability	26.65
Ring Count	1
Rotatable Bond Count	7

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<14 Days	19677-37-3		$94.50-$354.38$94.50$354.38