N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline

N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline

Formula: C16H18N2O4

SMILES: COC1=CC=CC(CNC2=CC=C(C=C2C)[N+]([O-])=O)=C1OC

IUPAC: N-[(2,3-dimethoxyphenyl)methyl]-2-methyl-4-nitroaniline

InChI: InChI=1S/C16H18N2O4/c1-11-9-13(18(19)20)7-8-14(11)17-10-12-5-4-6-15(21-2)16(12)22-3/h4-9,17H,10H2,1-3H3

Composition: C (63.56%), H (6.00%), N (9.27%), O (21.17%)

Molar Mass: 302.33

Atom Count: 40

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	302.126657068
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	ORRWYEJVTXGNEP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.15
Topological Polar Surface Area	73.63
Polarizability	31.57
Ring Count	2
Rotatable Bond Count	6

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C16H18N2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00