3-(4-chloro-3-fluorophenyl)propanoic acid

3-(4-chloro-3-fluorophenyl)propanoic acid

CAS: 881189-65-7

Formula: C9H8ClFO2

SMILES: OC(=O)CCC1=CC=C(Cl)C(F)=C1

IUPAC: 3-(4-chloro-3-fluorophenyl)propanoic acid

InChI: InChI=1S/C9H8ClFO2/c10-7-3-1-6(5-8(7)11)2-4-9(12)13/h1,3,5H,2,4H2,(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	GDXMVKNNJGWZFN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	46.99
Topological Polar Surface Area	37.3
Polarizability	18.05
Ring Count	1
Rotatable Bond Count	3

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