5-(benzyloxy)-1-fluoro-2-methyl-3-nitrobenzene

5-(benzyloxy)-1-fluoro-2-methyl-3-nitrobenzene

CAS: 1951441-93-2

Formula: C14H12FNO3

SMILES: CC1=C(F)C=C(OCC2=CC=CC=C2)C=C1[N+]([O-])=O

IUPAC: 5-(benzyloxy)-1-fluoro-2-methyl-3-nitrobenzene

InChI: InChI=1S/C14H12FNO3/c1-10-13(15)7-12(8-14(10)16(17)18)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3

Composition: C (64.36%), H (4.63%), F (7.27%), N (5.36%), O (18.37%)

Molar Mass: 261.252

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	261.080121413
Formal Charge	0
FSP3	0.14
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	LZHASWXDSOAZIZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	68.71
Topological Polar Surface Area	52.37
Polarizability	25.76
Ring Count	2
Rotatable Bond Count	4

Suppliers

Chemcia Scientific, LLC

Supplier Profile

Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<2 Days	1951441-93-2		$270.25-$1,374.25$270.25$402.50$1,374.25