2-methyl-3-nitro-N-(pentan-2-yl)benzamide

2-methyl-3-nitro-N-(pentan-2-yl)benzamide

Formula: C13H18N2O3

SMILES: CCCC(C)NC(=O)C1=CC=CC(=C1C)[N+]([O-])=O

IUPAC: 2-methyl-3-nitro-N-(pentan-2-yl)benzamide

InChI: InChI=1/C13H18N2O3/c1-4-6-9(2)14-13(16)11-7-5-8-12(10(11)3)15(17)18/h5,7-9H,4,6H2,1-3H3,(H,14,16)

Composition: C (62.38%), H (7.25%), N (11.19%), O (19.18%)

Molar Mass: 250.298

Atom Count: 36

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	250.131742448
Formal Charge	0
FSP3	0.46
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	NJTSONSSJSIHQR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.69
Topological Polar Surface Area	72.24
Polarizability	26.01
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C13H18N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00