N2-(3-chloro-4-methylphenyl)-N4-methyl-5-nitropyrimidine-2,4,6-triamine

N2-(3-chloro-4-methylphenyl)-N4-methyl-5-nitropyrimidine-2,4,6-triamine

Formula: C12H13ClN6O2

SMILES: CNC1=NC(NC2=CC=C(C)C(Cl)=C2)=NC(N)=C1[N+]([O-])=O

IUPAC: N2-(3-chloro-4-methylphenyl)-N4-methyl-5-nitropyrimidine-2,4,6-triamine

InChI: InChI=1S/C12H13ClN6O2/c1-6-3-4-7(5-8(6)13)16-12-17-10(14)9(19(20)21)11(15-2)18-12/h3-5H,1-2H3,(H4,14,15,16,17,18)

Composition: C (46.69%), H (4.24%), Cl (11.48%), N (27.22%), O (10.36%)

Molar Mass: 308.73

Atom Count: 34

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	308.0788514
Formal Charge	0
FSP3	0.17
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	7
Hydrogen Bond Donor Count	3
InChIKey	XQQZFOLGPKGQRT-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	82.84
Topological Polar Surface Area	119
Polarizability	29.01
Ring Count	2
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H13ClN6O2		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00