Free Chemical Databases
-
[Synonyms]
NSC43101
73143-10-9
[Structure]
[ Properties Computed from Structure]
Molecular Weight 265.14902 [g/mol] Molecular Formula C12H13BrN2 XLogP 3 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 2 Exact Mass 264.026211 MonoIsotopic Mass 264.026211 Topological Polar Surface Area 35.8 Heavy Atom Count 15 Formal Charge 0 Complexity 254 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-[(4-bromophenyl)amino]cyclopentane-1-carbonitrile
Canonical SMILES: C1CCC(C1)(C#N)NC2=CC=C(C=C2)Br
InChI: InChI=1/C12H13BrN2/c13-10-3-5-11(6-4-10)15-12(9-14)7-1-2-8-12/h3-6,15H,
1-2,7-8H2
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