Free Chemical Databases
-
[Synonyms]
NSC43278
6303-47-5
[Structure]
[ Properties Computed from Structure]
Molecular Weight 249.69618 [g/mol] Molecular Formula C12H12ClN3O XLogP 1.7 H-Bond Donor 2 H-Bond Acceptor 4 Rotatable Bond Count 4 Tautomer Count 3 Exact Mass 249.06689 MonoIsotopic Mass 249.06689 Topological Polar Surface Area 58 Heavy Atom Count 17 Formal Charge 0 Complexity 222 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: 2-[4-[(6-chloropyrimidin-4-yl)amino]phenyl]ethanol
Canonical SMILES: C1=CC(=CC=C1CCO)NC2=CC(=NC=N2)Cl
InChI: InChI=1/C12H12ClN3O/c13-11-7-12(15-8-14-11)16-10-3-1-9(2-4-10)5-6-17/h1-
4,7-8,17H,5-6H2,(H,14,15,16)/f/h16H
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