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24748-96-7 | 2-Pyrimidinamine, 4,6-dimethyl-5-[2-(2-nitrophenyl)diazenyl]-
CAS No: 24748-96-7 Catalog No: AG002PAV MDL No:
Product Description
Catalog Number:
AG002PAV
Chemical Name:
2-Pyrimidinamine, 4,6-dimethyl-5-[2-(2-nitrophenyl)diazenyl]-
CAS Number:
24748-96-7
Molecular Formula:
C12H12N6O2
Molecular Weight:
272.2627
IUPAC Name:
4,6-dimethyl-5-[(2-nitrophenyl)diazenyl]pyrimidin-2-amine
InChI:
InChI=1S/C12H12N6O2/c1-7-11(8(2)15-12(13)14-7)17-16-9-5-3-4-6-10(9)18(19)20/h3-6H,1-2H3,(H2,13,14,15)
InChI Key:
ZLNYIKQXDFBPKR-UHFFFAOYSA-N
SMILES:
Nc1nc(C)c(c(n1)C)N=Nc1ccccc1[N+](=O)[O-]
NSC Number:
129169
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
272.102g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
272.268g/mol
Monoisotopic Mass:
272.102g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
122A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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