4-chloro-2-nitro-N-(pentan-3-yl)benzamide

4-chloro-2-nitro-N-(pentan-3-yl)benzamide

Formula: C12H15ClN2O3

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

IUPAC: 4-chloro-2-nitro-N-(pentan-3-yl)benzamide

InChI: InChI=1S/C12H15ClN2O3/c1-3-9(4-2)14-12(16)10-6-5-8(13)7-11(10)15(17)18/h5-7,9H,3-4H2,1-2H3,(H,14,16)

Composition: C (53.24%), H (5.59%), Cl (13.10%), N (10.35%), O (17.73%)

Molar Mass: 270.71

Atom Count: 33

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	270.0771201
Formal Charge	0
FSP3	0.42
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	RMYALZYEOHJWEE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	69.37
Topological Polar Surface Area	72.24
Polarizability	26.19
Ring Count	1
Rotatable Bond Count	5

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C12H15ClN2O3		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00