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89112-46-9 | Phenol, 2-[2-amino-6-(2-methoxyphenyl)-4-pyrimidinyl]-4-bromo-
CAS No: 89112-46-9 Catalog No: AG003ZJL MDL No:
Product Description
Catalog Number:
AG003ZJL
Chemical Name:
Phenol, 2-[2-amino-6-(2-methoxyphenyl)-4-pyrimidinyl]-4-bromo-
CAS Number:
89112-46-9
Molecular Formula:
C17H14BrN3O2
Molecular Weight:
372.2160
IUPAC Name:
2-[2-amino-6-(2-methoxyphenyl)pyrimidin-4-yl]-4-bromophenol
InChI:
InChI=1S/C17H14BrN3O2/c1-23-16-5-3-2-4-11(16)13-9-14(21-17(19)20-13)12-8-10(18)6-7-15(12)22/h2-9,22H,1H3,(H2,19,20,21)
InChI Key:
DOIYBWFEJUNCHG-UHFFFAOYSA-N
SMILES:
COc1ccccc1c1nc(N)nc(c1)c1cc(Br)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:
371.027g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
372.222g/mol
Monoisotopic Mass:
371.027g/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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