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3-(4-chlorophenoxymethyl)benzoic acid

3-(4-chlorophenoxymethyl)benzoic acid

CAS: 30082-43-0

Formula: C14H11ClO3

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

IUPAC: 3-[(4-chlorophenoxy)methyl]benzoic acid

InChI: InChI=1S/C14H11ClO3/c15-12-4-6-13(7-5-12)18-9-10-2-1-3-11(8-10)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 OQKCKBQDCXPSQE-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.19
Topological Polar Surface Area 46.53
Polarizability 26.63
Ring Count 2
Rotatable Bond Count 4

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Kinentia Biosciences LLC
Purity LeadTime CAS PacketSize UnitPrice
95% <14 Days 30082-43-0 $289.17$289.17
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Crea-Chim UAB
Purity LeadTime CAS PacketSize UnitPrice
95% <7 Days 30082-43-0 $65.00$65.00
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