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2-(2-chlorophenoxy)butanoic acid

2-(2-chlorophenoxy)butanoic acid

CAS: 67829-76-9

Formula: C10H11ClO3

SMILES: CCC(OC1=C(Cl)C=CC=C1)C(O)=O

IUPAC: 2-(2-chlorophenoxy)butanoic acid

InChI: InChI=1/C10H11ClO3/c1-2-8(10(12)13)14-9-6-4-3-5-7(9)11/h3-6,8H,2H2,1H3,(H,12,13)

Composition: C (55.96%), H (5.17%), Cl (16.52%), O (22.36%)

Molar Mass: 214.65

Atom Count: 25

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 214.0396719
Formal Charge 0
FSP3 0.3
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey COHQCOPPYROAKU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.43
Topological Polar Surface Area 46.53
Polarizability 20.82
Ring Count 1
Rotatable Bond Count 4

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