4-nitro-N-(pentan-3-yl)benzamide

4-nitro-N-(pentan-3-yl)benzamide

Formula: C12H16N2O3

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

IUPAC: 4-nitro-N-(pentan-3-yl)benzamide

InChI: InChI=1S/C12H16N2O3/c1-3-10(4-2)13-12(15)9-5-7-11(8-6-9)14(16)17/h5-8,10H,3-4H2,1-2H3,(H,13,15)

Composition: C (61.00%), H (6.83%), N (11.86%), O (20.31%)

Molar Mass: 236.271

Atom Count: 33

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	236.116092383
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	WOHZJRQVAVVUCE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.57
Topological Polar Surface Area	72.24
Polarizability	24.25
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H16N2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00