2-(2-chloro-5-methylphenoxy)butanoic acid

2-(2-chloro-5-methylphenoxy)butanoic acid

CAS: 869947-15-9

Formula: C11H13ClO3

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

IUPAC: 2-(2-chloro-5-methylphenoxy)butanoic acid

InChI: InChI=1/C11H13ClO3/c1-3-9(11(13)14)15-10-6-7(2)4-5-8(10)12/h4-6,9H,3H2,1-2H3,(H,13,14)

Composition: C (57.78%), H (5.73%), Cl (15.50%), O (20.99%)

Molar Mass: 228.67

Atom Count: 28

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	228.055322
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	1
InChIKey	IBEUMMWJCKGJFT-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.47
Topological Polar Surface Area	46.53
Polarizability	22.57
Ring Count	1
Rotatable Bond Count	4

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