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89112-82-3 | Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-4,5-dimethyl-
CAS No: 89112-82-3 Catalog No: AG003YFB MDL No:
Product Description
Catalog Number:
AG003YFB
Chemical Name:
Phenol, 2-[2-amino-6-(4-chlorophenyl)-4-pyrimidinyl]-4,5-dimethyl-
CAS Number:
89112-82-3
Molecular Formula:
C18H16ClN3O
Molecular Weight:
325.7921
IUPAC Name:
2-[2-amino-6-(4-chlorophenyl)pyrimidin-4-yl]-4,5-dimethylphenol
InChI:
InChI=1S/C18H16ClN3O/c1-10-7-14(17(23)8-11(10)2)16-9-15(21-18(20)22-16)12-3-5-13(19)6-4-12/h3-9,23H,1-2H3,(H2,20,21,22)
InChI Key:
QMUPNFJRBYNBOC-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)c1nc(N)nc(c1)c1cc(C)c(cc1O)C
Properties
Complexity:
389
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
325.098g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
325.796g/mol
Monoisotopic Mass:
325.098g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
72A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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