4-(4-chloro-3-methylphenoxy)butanoic acid

4-(4-chloro-3-methylphenoxy)butanoic acid

CAS: 23609-99-6

Formula: C11H13ClO3

SMILES: CC1=C(Cl)C=CC(OCCCC(O)=O)=C1

IUPAC: 4-(4-chloro-3-methylphenoxy)butanoic acid

InChI: InChI=1S/C11H13ClO3/c1-8-7-9(4-5-10(8)12)15-6-2-3-11(13)14/h4-5,7H,2-3,6H2,1H3,(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	0
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	PHYYXFKRVUCUBW-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.91
Topological Polar Surface Area	46.53
Polarizability	22.55
Ring Count	1
Rotatable Bond Count	5

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