2-[(4-fluorophenyl)carbamoyl]acetic acid

2-[(4-fluorophenyl)carbamoyl]acetic acid

CAS: 95262-10-5

Formula: C9H8FNO3

SMILES: OC(=O)CC(=O)NC1=CC=C(F)C=C1

IUPAC: 2-[(4-fluorophenyl)carbamoyl]acetic acid

InChI: InChI=1S/C9H8FNO3/c10-6-1-3-7(4-2-6)11-8(12)5-9(13)14/h1-4H,5H2,(H,11,12)(H,13,14)

Composition: C (54.83%), H (4.09%), F (9.64%), N (7.10%), O (24.34%)

Molar Mass: 197.165

Atom Count: 22

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.048821285
Formal Charge	0
FSP3	0.11
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	ISLQUPSDLYAGBQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	47.48
Topological Polar Surface Area	66.4
Polarizability	17.38
Ring Count	1
Rotatable Bond Count	3

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90%	<2 Days	95262-10-5		$51.35-$524.40$51.35$63.37$86.31$524.40

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