Free Chemical Databases
-
[Synonyms]
NSC136930
50275-07-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 217.69408 [g/mol] Molecular Formula C13H12ClN XLogP 3.8 H-Bond Donor 1 H-Bond Acceptor 1 Rotatable Bond Count 2 Exact Mass 217.065827 MonoIsotopic Mass 217.065827 Topological Polar Surface Area 26 Heavy Atom Count 15 Formal Charge 0 Complexity 179 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: 4-[(4-chlorophenyl)methyl]aniline
Canonical SMILES: C1=CC(=CC=C1CC2=CC=C(C=C2)Cl)N
InChI: InChI=1/C13H12ClN/c14-12-5-1-10(2-6-12)9-11-3-7-13(15)8-4-11/h1-8H,9,
15H2
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