3-nitro-4-(octadecylamino)benzoic acid

3-nitro-4-(octadecylamino)benzoic acid

Formula: C25H42N2O4

SMILES: CCCCCCCCCCCCCCCCCCNC1=CC=C(C=C1[N+]([O-])=O)C(O)=O

IUPAC: 3-nitro-4-(octadecylamino)benzoic acid

InChI: InChI=1S/C25H42N2O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-26-23-19-18-22(25(28)29)21-24(23)27(30)31/h18-19,21,26H,2-17,20H2,1H3,(H,28,29)

Composition: C (69.09%), H (9.74%), N (6.45%), O (14.72%)

Molar Mass: 434.621

Atom Count: 73

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	434.31445784
Formal Charge	0
FSP3	0.72
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	VLPLVCXHXPMIQR-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	128.12
Topological Polar Surface Area	92.47
Polarizability	48.8
Ring Count	1
Rotatable Bond Count	20

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C25H42N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00