ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

CAS: 76811-97-7

Formula: C16H21ClO3

SMILES: CCOC(=O)C(C)(C)C1=CC=C(C=C1)C(=O)CCCCl

IUPAC: ethyl 2-[4-(4-chlorobutanoyl)phenyl]-2-methylpropanoate

InChI: InChI=1S/C16H21ClO3/c1-4-20-15(19)16(2,3)13-9-7-12(8-10-13)14(18)6-5-11-17/h7-10H,4-6,11H2,1-3H3

Composition: C (64.75%), H (7.13%), Cl (11.94%), O (16.17%)

Molar Mass: 296.79

Atom Count: 41

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	296.1179222
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NQQITLVKOMJPDY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	80.57
Topological Polar Surface Area	43.37
Polarizability	31.38
Ring Count	1
Rotatable Bond Count	8

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97%	<14 Days	76811-97-7		$100.98-$805.80$100.98$416.16$805.80