1-hexyl-4-nitrobenzene

1-hexyl-4-nitrobenzene

Formula: C12H17NO2

SMILES: CCCCCCC1=CC=C(C=C1)[N+]([O-])=O

IUPAC: 1-hexyl-4-nitrobenzene

InChI: InChI=1S/C12H17NO2/c1-2-3-4-5-6-11-7-9-12(10-8-11)13(14)15/h7-10H,2-6H2,1H3

Composition: C (69.54%), H (8.27%), N (6.76%), O (15.44%)

Molar Mass: 207.273

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	207.125928791
Formal Charge	0
FSP3	0.5
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YLWXUZXLBPAZJZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.42
Topological Polar Surface Area	43.14
Polarizability	23.15
Ring Count	1
Rotatable Bond Count	6

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C12H17NO2		Quote Only