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4-[(4-fluorophenyl)methoxy]-3-methoxybenzoic acid

4-[(4-fluorophenyl)methoxy]-3-methoxybenzoic acid

CAS: 113457-32-2

Formula: C15H13FO4

SMILES: COC1=C(OCC2=CC=C(F)C=C2)C=CC(=C1)C(O)=O

IUPAC: 4-[(4-fluorophenyl)methoxy]-3-methoxybenzoic acid

InChI: InChI=1S/C15H13FO4/c1-19-14-8-11(15(17)18)4-7-13(14)20-9-10-2-5-12(16)6-3-10/h2-8H,9H2,1H3,(H,17,18)

Composition: C (65.21%), H (4.74%), F (6.88%), O (23.16%)

Molar Mass: 276.263

Atom Count: 33

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 276.079787062
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey YOJAJGCDFZQVTK-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.07
Topological Polar Surface Area 55.76
Polarizability 26.99
Ring Count 2
Rotatable Bond Count 5

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Purity LeadTime CAS PacketSize UnitPrice
95% <2 Days 113457-32-2 $134.76$134.76
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