Free Chemical Databases
-
[Synonyms]
NSC19572
53595-98-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 233.69348 [g/mol] Molecular Formula C13H12ClNO XLogP 3.8 H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 3 Exact Mass 233.060742 MonoIsotopic Mass 233.060742 Topological Polar Surface Area 21.3 Heavy Atom Count 16 Formal Charge 0 Complexity 204 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: N-(3-chlorophenyl)-4-methoxyaniline
Canonical SMILES: COC1=CC=C(C=C1)NC2=CC(=CC=C2)Cl
InChI: InChI=1/C13H12ClNO/c1-16-13-7-5-11(6-8-13)15-12-4-2-3-10(14)9-12/h2-9,
15H,1H3
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