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89112-42-5 | Phenol, 2-[2-amino-6-(3-methoxyphenyl)-4-pyrimidinyl]-4-chloro-
CAS No: 89112-42-5 Catalog No: AG003YFI MDL No:
Product Description
Catalog Number:
AG003YFI
Chemical Name:
Phenol, 2-[2-amino-6-(3-methoxyphenyl)-4-pyrimidinyl]-4-chloro-
CAS Number:
89112-42-5
Molecular Formula:
C17H14ClN3O2
Molecular Weight:
327.7650
IUPAC Name:
2-[2-amino-6-(3-methoxyphenyl)pyrimidin-4-yl]-4-chlorophenol
InChI:
InChI=1S/C17H14ClN3O2/c1-23-12-4-2-3-10(7-12)14-9-15(21-17(19)20-14)13-8-11(18)5-6-16(13)22/h2-9,22H,1H3,(H2,19,20,21)
InChI Key:
KTVAYTTWIMXLQA-UHFFFAOYSA-N
SMILES:
COc1cccc(c1)c1nc(N)nc(c1)c1cc(Cl)ccc1O
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.077g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
327.768g/mol
Monoisotopic Mass:
327.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
81.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4
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