4-[(2,4,5-trifluorophenyl)carbamoyl]butanoic acid

4-[(2,4,5-trifluorophenyl)carbamoyl]butanoic acid

CAS: 306730-07-4

Formula: C11H10F3NO3

SMILES: OC(=O)CCCC(=O)NC1=CC(F)=C(F)C=C1F

IUPAC: 4-[(2,4,5-trifluorophenyl)carbamoyl]butanoic acid

InChI: InChI=1S/C11H10F3NO3/c12-6-4-8(14)9(5-7(6)13)15-10(16)2-1-3-11(17)18/h4-5H,1-3H2,(H,15,16)(H,17,18)

Composition: C (50.58%), H (3.86%), F (21.82%), N (5.36%), O (18.38%)

Molar Mass: 261.2

Atom Count: 28

Heavy Atom Count: 18

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	261.061277675
Formal Charge	0
FSP3	0.27
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	2
InChIKey	WBZIHCIBAIRQPV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.06
Topological Polar Surface Area	66.4
Polarizability	20.69
Ring Count	1
Rotatable Bond Count	5

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	306730-07-4		$51.35-$86.31$51.35$63.37$86.31