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

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

CAS: 360778-49-0

Formula: C14H10Cl2O3

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

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

InChI: InChI=1S/C14H10Cl2O3/c15-11-5-3-6-12(16)10(11)8-19-13-7-2-1-4-9(13)14(17)18/h1-7H,8H2,(H,17,18)

Composition: C (56.59%), H (3.39%), Cl (23.86%), O (16.15%)

Molar Mass: 297.13

Atom Count: 29

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 296.0006996
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey QLLWQACDCKPXBQ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74
Topological Polar Surface Area 46.53
Polarizability 28.57
Ring Count 2
Rotatable Bond Count 4

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