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5-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

5-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

CAS: 938355-18-1

Formula: C14H9Cl3O3

SMILES: OC(=O)C1=C(OCC2=C(Cl)C=CC=C2Cl)C=CC(Cl)=C1

IUPAC: 5-chloro-2-[(2,6-dichlorophenyl)methoxy]benzoic acid

InChI: InChI=1S/C14H9Cl3O3/c15-8-4-5-13(9(6-8)14(18)19)20-7-10-11(16)2-1-3-12(10)17/h1-6H,7H2,(H,18,19)

Composition: C (50.71%), H (2.74%), Cl (32.07%), O (14.48%)

Molar Mass: 331.57

Atom Count: 29

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 329.9617272
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey SYHAJCDOIYSQRK-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 78.8
Topological Polar Surface Area 46.53
Polarizability 30.49
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 938355-18-1 $134.76$134.76
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