4-fluoro-2-methyl-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline

4-fluoro-2-methyl-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline

Formula: C15H13FN2O4

SMILES: CC1=CC(F)=CC=C1NCC1=CC2=C(OCO2)C=C1[N+]([O-])=O

IUPAC: 4-fluoro-2-methyl-N-[(6-nitro-2H-1,3-benzodioxol-5-yl)methyl]aniline

InChI: InChI=1S/C15H13FN2O4/c1-9-4-11(16)2-3-12(9)17-7-10-5-14-15(22-8-21-14)6-13(10)18(19)20/h2-6,17H,7-8H2,1H3

Composition: C (59.21%), H (4.31%), F (6.24%), N (9.21%), O (21.03%)

Molar Mass: 304.277

Atom Count: 35

Heavy Atom Count: 22

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	304.08593507
Formal Charge	0
FSP3	0.2
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	1
InChIKey	POYJOUDYNBXLJO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.21
Topological Polar Surface Area	73.63
Polarizability	28.76
Ring Count	3
Rotatable Bond Count	4

Suppliers

Molecule Market Select

Purity	LeadTime	Formula	PacketSize	UnitPrice
90%	<16 Days	C15H13FN2O4		$33.80-$156.00$33.80$52.00$67.60$93.60$156.00