2-(carboxymethyl)-4-fluorobenzoic acid

2-(carboxymethyl)-4-fluorobenzoic acid

Formula: C9H7FO4

SMILES: OC(=O)CC1=C(C=CC(F)=C1)C(O)=O

IUPAC: 2-(carboxymethyl)-4-fluorobenzoic acid

InChI: InChI=1S/C9H7FO4/c10-6-1-2-7(9(13)14)5(3-6)4-8(11)12/h1-3H,4H2,(H,11,12)(H,13,14)

Composition: C (54.55%), H (3.56%), F (9.59%), O (32.30%)

Molar Mass: 198.149

Atom Count: 21

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	198.032836868
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	2
InChIKey	NJRYCMRYNLWLED-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	44.84
Topological Polar Surface Area	74.6
Polarizability	16.74
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	Formula		UnitPrice
98%	<10 Days	C9H7FO4		Quote Only