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3-(3-chlorophenoxymethyl)benzoic acid

3-(3-chlorophenoxymethyl)benzoic acid

CAS: 360778-44-5

Formula: C14H11ClO3

SMILES: OC(=O)C1=CC(COC2=CC(Cl)=CC=C2)=CC=C1

IUPAC: 3-[(3-chlorophenoxy)methyl]benzoic acid

InChI: InChI=1S/C14H11ClO3/c15-12-5-2-6-13(8-12)18-9-10-3-1-4-11(7-10)14(16)17/h1-8H,9H2,(H,16,17)

Composition: C (64.01%), H (4.22%), Cl (13.50%), O (18.27%)

Molar Mass: 262.69

Atom Count: 29

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 262.0396719
Formal Charge 0
FSP3 0.07
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ONTJAMCYIQODDU-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.19
Topological Polar Surface Area 46.53
Polarizability 26.64
Ring Count 2
Rotatable Bond Count 4

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