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89127-62-8 | Phenol, 2-[2-amino-6-(2-chlorophenyl)-4-pyrimidinyl]-4-chloro-6-methyl-
CAS No: 89127-62-8 Catalog No: AG003YAY MDL No:
Product Description
Catalog Number:
AG003YAY
Chemical Name:
Phenol, 2-[2-amino-6-(2-chlorophenyl)-4-pyrimidinyl]-4-chloro-6-methyl-
CAS Number:
89127-62-8
Molecular Formula:
C17H13Cl2N3O
Molecular Weight:
346.2106
IUPAC Name:
2-[2-amino-6-(2-chlorophenyl)pyrimidin-4-yl]-4-chloro-6-methylphenol
InChI:
InChI=1S/C17H13Cl2N3O/c1-9-6-10(18)7-12(16(9)23)15-8-14(21-17(20)22-15)11-4-2-3-5-13(11)19/h2-8,23H,1H3,(H2,20,21,22)
InChI Key:
BRHFYRMBWADNDB-UHFFFAOYSA-N
SMILES:
Nc1nc(cc(n1)c1cc(Cl)cc(c1O)C)c1ccccc1Cl
Properties
Complexity:
400
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
345.044g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
346.211g/mol
Monoisotopic Mass:
345.044g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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