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5-chloro-2-[(2-methylphenyl)methoxy]benzoic acid

5-chloro-2-[(2-methylphenyl)methoxy]benzoic acid

CAS: 938379-26-1

Formula: C15H13ClO3

SMILES: CC1=C(COC2=C(C=C(Cl)C=C2)C(O)=O)C=CC=C1

IUPAC: 5-chloro-2-[(2-methylphenyl)methoxy]benzoic acid

InChI: InChI=1S/C15H13ClO3/c1-10-4-2-3-5-11(10)9-19-14-7-6-12(16)8-13(14)15(17)18/h2-8H,9H2,1H3,(H,17,18)

Composition: C (65.11%), H (4.74%), Cl (12.81%), O (17.35%)

Molar Mass: 276.72

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.055322
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey KFBVQXZOAPISBM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.24
Topological Polar Surface Area 46.53
Polarizability 28.4
Ring Count 2
Rotatable Bond Count 4

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95% <2 Days 938379-26-1 $154.01$154.01
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