Free Chemical Databases
-
[Synonyms]
NSC401907
7500-66-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 267.1616 [g/mol] Molecular Formula C13H15BrO XLogP 3.9 H-Bond Donor 0 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 266.030628 MonoIsotopic Mass 266.030628 Topological Polar Surface Area 17.1 Heavy Atom Count 15 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: (1-bromocyclohexyl)-phenylmethanone
Canonical SMILES: C1CCC(CC1)(C(=O)C2=CC=CC=C2)Br
InChI: InChI=1/C13H15BrO/c14-13(9-5-2-6-10-13)12(15)11-7-3-1-4-8-11/h1,3-4,
7-8H,2,5-6,9-10H2
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