Free Chemical Databases
-
[Synonyms]
NSC280764
41949-98-8
[Structure]
[ Properties Computed from Structure]
Molecular Weight 235.1182 [g/mol] Molecular Formula C9H15BrO2 XLogP 2.7 H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 234.025542 MonoIsotopic Mass 234.025542 Topological Polar Surface Area 26.3 Heavy Atom Count 12 Formal Charge 0 Complexity 162 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: ethyl 1-bromocyclohexane-1-carboxylate
Canonical SMILES: CCOC(=O)C1(CCCCC1)Br
InChI: InChI=1/C9H15BrO2/c1-2-12-8(11)9(10)6-4-3-5-7-9/h2-7H2,1H3
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