(5-fluoro-2-nitrophenyl)acetic acid

(5-fluoro-2-nitrophenyl)acetic acid

CAS: 29640-98-0

Formula: C8H6FNO4

SMILES: OC(=O)CC1=CC(F)=CC=C1[N+]([O-])=O

IUPAC: 2-(5-fluoro-2-nitrophenyl)acetic acid

InChI: InChI=1S/C8H6FNO4/c9-6-1-2-7(10(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(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	HOWBVGXZCYNPOU-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	43.9
Topological Polar Surface Area	80.44
Polarizability	16.32
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98.76%	<7 Days	29640-98-0		$14.96-$287.05$14.96$72.00$287.05