2-methyl-3,5-dinitrobenzoylurea

2-methyl-3,5-dinitrobenzoylurea

Formula: C9H8N4O6

SMILES: CC1=C(C=C(C=C1C(=O)NC(N)=O)[N+]([O-])=O)[N+]([O-])=O

IUPAC: (2-methyl-3,5-dinitrobenzoyl)urea

InChI: InChI=1S/C9H8N4O6/c1-4-6(8(14)11-9(10)15)2-5(12(16)17)3-7(4)13(18)19/h2-3H,1H3,(H3,10,11,14,15)

Composition: C (40.31%), H (3.01%), N (20.89%), O (35.79%)

Molar Mass: 268.185

Atom Count: 27

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	268.044383994
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	6
Hydrogen Bond Donor Count	2
InChIKey	RULVHNPYZHTXEH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.06
Topological Polar Surface Area	158.47
Polarizability	22.09
Ring Count	1
Rotatable Bond Count	3

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C9H8N4O6		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00