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89112-49-2 | Phenol, 2-[2-amino-6-(2-methylphenyl)-4-pyrimidinyl]-4-bromo-
CAS No: 89112-49-2 Catalog No: AG003ZJK MDL No:
Product Description
Catalog Number:
AG003ZJK
Chemical Name:
Phenol, 2-[2-amino-6-(2-methylphenyl)-4-pyrimidinyl]-4-bromo-
CAS Number:
89112-49-2
Molecular Formula:
C17H14BrN3O
Molecular Weight:
356.2166
IUPAC Name:
2-[2-amino-6-(2-methylphenyl)pyrimidin-4-yl]-4-bromophenol
InChI:
InChI=1S/C17H14BrN3O/c1-10-4-2-3-5-12(10)14-9-15(21-17(19)20-14)13-8-11(18)6-7-16(13)22/h2-9,22H,1H3,(H2,19,20,21)
InChI Key:
HVEOZWZEPIRFEC-UHFFFAOYSA-N
SMILES:
Brc1ccc(c(c1)c1nc(N)nc(c1)c1ccccc1C)O
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
355.032g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
356.223g/mol
Monoisotopic Mass:
355.032g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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