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27844-94-6 | 2-Pyrimidinamine, 5-[2-(3,5-dichlorophenyl)diazenyl]-4-methyl-6-phenyl-
CAS No: 27844-94-6 Catalog No: AG002UWR MDL No:
Product Description
Catalog Number:
AG002UWR
Chemical Name:
2-Pyrimidinamine, 5-[2-(3,5-dichlorophenyl)diazenyl]-4-methyl-6-phenyl-
CAS Number:
27844-94-6
Molecular Formula:
C17H13Cl2N5
Molecular Weight:
358.2246
IUPAC Name:
5-[(3,5-dichlorophenyl)diazenyl]-4-methyl-6-phenylpyrimidin-2-amine
InChI:
InChI=1S/C17H13Cl2N5/c1-10-15(24-23-14-8-12(18)7-13(19)9-14)16(22-17(20)21-10)11-5-3-2-4-6-11/h2-9H,1H3,(H2,20,21,22)
InChI Key:
DYJGGDHLSZJBRN-UHFFFAOYSA-N
SMILES:
Nc1nc(C)c(c(n1)c1ccccc1)N=Nc1cc(Cl)cc(c1)Cl
NSC Number:
132512
Properties
Complexity:
419
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
357.055g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
358.226g/mol
Monoisotopic Mass:
357.055g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
76.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.9
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