1-fluoro-4-methoxy-2-methyl-5-nitrobenzene

1-fluoro-4-methoxy-2-methyl-5-nitrobenzene

CAS: 182880-71-3

Formula: C8H8FNO3

SMILES: COC1=CC(C)=C(F)C=C1[N+]([O-])=O

IUPAC: 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene

InChI: InChI=1S/C8H8FNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3

Composition: C (51.90%), H (4.36%), F (10.26%), N (7.57%), O (25.92%)

Molar Mass: 185.154

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	185.048821285
Formal Charge	0
FSP3	0.25
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	ZDFSGAVCCAHLHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.1
Topological Polar Surface Area	52.37
Polarizability	16.29
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<2 Days	182880-71-3		$51.35-$225.06$51.35$63.37$86.31$143.12$225.06