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89112-45-8 | Phenol, 2-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-4-chloro-
CAS No: 89112-45-8 Catalog No: AG003YFG MDL No:
Product Description
Catalog Number:
AG003YFG
Chemical Name:
Phenol, 2-[2-amino-6-(4-methylphenyl)-4-pyrimidinyl]-4-chloro-
CAS Number:
89112-45-8
Molecular Formula:
C17H14ClN3O
Molecular Weight:
311.7656
IUPAC Name:
2-[2-amino-6-(4-methylphenyl)pyrimidin-4-yl]-4-chlorophenol
InChI:
InChI=1S/C17H14ClN3O/c1-10-2-4-11(5-3-10)14-9-15(21-17(19)20-14)13-8-12(18)6-7-16(13)22/h2-9,22H,1H3,(H2,19,20,21)
InChI Key:
OMDFIDWJJWXWBH-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1nc(N)nc(c1)c1cc(Cl)ccc1O
Properties
Complexity:
362
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
311.083g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
311.769g/mol
Monoisotopic Mass:
311.083g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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