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89112-54-9 | Phenol, 2-[2-amino-6-(2-methylphenyl)-4-pyrimidinyl]-4-chloro-6-methyl-
CAS No: 89112-54-9 Catalog No: AG003ZJJ MDL No:
Product Description
Catalog Number:
AG003ZJJ
Chemical Name:
Phenol, 2-[2-amino-6-(2-methylphenyl)-4-pyrimidinyl]-4-chloro-6-methyl-
CAS Number:
89112-54-9
Molecular Formula:
C18H16ClN3O
Molecular Weight:
325.7921
IUPAC Name:
2-[2-amino-6-(2-methylphenyl)pyrimidin-4-yl]-4-chloro-6-methylphenol
InChI:
InChI=1S/C18H16ClN3O/c1-10-5-3-4-6-13(10)15-9-16(22-18(20)21-15)14-8-12(19)7-11(2)17(14)23/h3-9,23H,1-2H3,(H2,20,21,22)
InChI Key:
SHQCKAPDWXUEOV-UHFFFAOYSA-N
SMILES:
Nc1nc(cc(n1)c1cc(Cl)cc(c1O)C)c1ccccc1C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.796g/mol
Monoisotopic Mass:
325.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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