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27844-98-0 | 2-Pyrimidinamine, 5-[2-(2-chloro-6-methylphenyl)diazenyl]-4-methyl-6-phenyl-
CAS No: 27844-98-0 Catalog No: AG002UWN MDL No:
Product Description
Catalog Number:
AG002UWN
Chemical Name:
2-Pyrimidinamine, 5-[2-(2-chloro-6-methylphenyl)diazenyl]-4-methyl-6-phenyl-
CAS Number:
27844-98-0
Molecular Formula:
C18H16ClN5
Molecular Weight:
337.8061
IUPAC Name:
5-[(2-chloro-6-methylphenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
InChI:
InChI=1S/C18H16ClN5/c1-11-7-6-10-14(19)15(11)23-24-16-12(2)21-18(20)22-17(16)13-8-4-3-5-9-13/h3-10H,1-2H3,(H2,20,21,22)
InChI Key:
APIQMGJNWOHEBI-UHFFFAOYSA-N
SMILES:
Nc1nc(C)c(c(n1)c1ccccc1)N=Nc1c(C)cccc1Cl
NSC Number:
132515
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.109g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.811g/mol
Monoisotopic Mass:
337.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.7
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