3-(5-chloro-2-fluorophenyl)propanoic acid

3-(5-chloro-2-fluorophenyl)propanoic acid

CAS: 135832-52-9

Formula: C9H8ClFO2

SMILES: OC(=O)CCC1=CC(Cl)=CC=C1F

IUPAC: 3-(5-chloro-2-fluorophenyl)propanoic acid

InChI: InChI=1S/C9H8ClFO2/c10-7-2-3-8(11)6(5-7)1-4-9(12)13/h2-3,5H,1,4H2,(H,12,13)

Composition: C (53.35%), H (3.98%), Cl (17.50%), F (9.38%), O (15.79%)

Molar Mass: 202.61

Atom Count: 21

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	202.0196854
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	WJGBGNPQWOGIER-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.99
Topological Polar Surface Area	37.3
Polarizability	18.02
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
95%	<5 Days	135832-52-9		$17.65$17.65