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4-(4-chloro-3,5-dimethylphenoxymethyl)benzoic acid

4-(4-chloro-3,5-dimethylphenoxymethyl)benzoic acid

CAS: 832739-35-2

Formula: C16H15ClO3

SMILES: CC1=CC(OCC2=CC=C(C=C2)C(O)=O)=CC(C)=C1Cl

IUPAC: 4-[(4-chloro-3,5-dimethylphenoxy)methyl]benzoic acid

InChI: InChI=1S/C16H15ClO3/c1-10-7-14(8-11(2)15(10)17)20-9-12-3-5-13(6-4-12)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)

Composition: C (66.10%), H (5.20%), Cl (12.19%), O (16.51%)

Molar Mass: 290.74

Atom Count: 35

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 290.070972
Formal Charge 0
FSP3 0.19
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FUVODWDQICYHJB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.28
Topological Polar Surface Area 46.53
Polarizability 30.15
Ring Count 2
Rotatable Bond Count 4

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