5-fluoro-2-methyl-3-nitrobenzoic acid

5-fluoro-2-methyl-3-nitrobenzoic acid

CAS: 850462-64-5

Formula: C8H6FNO4

SMILES: CC1=C(C=C(F)C=C1C(O)=O)[N+]([O-])=O

IUPAC: 5-fluoro-2-methyl-3-nitrobenzoic acid

InChI: InChI=1S/C8H6FNO4/c1-4-6(8(11)12)2-5(9)3-7(4)10(13)14/h2-3H,1H3,(H,11,12)

Composition: C (48.25%), H (3.04%), F (9.54%), N (7.03%), O (32.14%)

Molar Mass: 199.137

Atom Count: 20

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.02808584
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	1
InChIKey	CMZCBPLTJBYJHZ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.89
Topological Polar Surface Area	80.44
Polarizability	16.24
Ring Count	1
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	850462-64-5		$5.18-$62.10$5.18$6.21$20.70$32.09$62.10