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2-{[(2-chlorophenyl)methoxy]methyl}benzoic acid

2-{[(2-chlorophenyl)methoxy]methyl}benzoic acid

CAS: 1154953-86-2

Formula: C15H13ClO3

SMILES: OC(=O)C1=C(COCC2=C(Cl)C=CC=C2)C=CC=C1

IUPAC: 2-{[(2-chlorophenyl)methoxy]methyl}benzoic acid

InChI: InChI=1S/C15H13ClO3/c16-14-8-4-2-6-12(14)10-19-9-11-5-1-3-7-13(11)15(17)18/h1-8H,9-10H2,(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 QKPKPRDGVLISAF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 74.3
Topological Polar Surface Area 46.53
Polarizability 28.49
Ring Count 2
Rotatable Bond Count 5

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95% <14 Days 1154953-86-2 $159.71$159.71
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