Free Chemical Databases
-
[Synonyms]
NSC58703
[Structure]
[ Properties Computed from Structure]
Molecular Weight 240.72588 [g/mol] Molecular Formula C13H17ClO2 XLogP 4.5 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 5 Exact Mass 240.091707 MonoIsotopic Mass 240.091707 Topological Polar Surface Area 26.3 Heavy Atom Count 16 Formal Charge 0 Complexity 225 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-chloroethyl 4-tert-butylbenzoate
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C(=O)OCCCl
InChI: InChI=1/C13H17ClO2/c1-13(2,3)11-6-4-10(5-7-11)12(15)16-9-8-14/h4-7H,
8-9H2,1-3H3
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