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

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

CAS: 154477-54-0

Formula: C15H19ClO3

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

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

InChI: InChI=1S/C15H19ClO3/c1-15(2,14(18)19-3)12-8-6-11(7-9-12)13(17)5-4-10-16/h6-9H,4-5,10H2,1-3H3

Composition: C (63.72%), H (6.77%), Cl (12.54%), O (16.97%)

Molar Mass: 282.76

Atom Count: 38

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	282.1022722
Formal Charge	0
FSP3	0.47
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ULWORPZJUIFPIC-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	75.82
Topological Polar Surface Area	43.37
Polarizability	29.54
Ring Count	1
Rotatable Bond Count	7

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97%	<14 Days	154477-54-0		$96.90-$701.76$96.90$420.24$701.76