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3-(benzyloxy)-5-fluoro-4-methylbenzoic acid

3-(benzyloxy)-5-fluoro-4-methylbenzoic acid

CAS: 1215030-99-1

Formula: C15H13FO3

SMILES: CC1=C(OCC2=CC=CC=C2)C=C(C=C1F)C(O)=O

IUPAC: 3-(benzyloxy)-5-fluoro-4-methylbenzoic acid

InChI: InChI=1S/C15H13FO3/c1-10-13(16)7-12(15(17)18)8-14(10)19-9-11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,17,18)

Composition: C (69.22%), H (5.03%), F (7.30%), O (18.44%)

Molar Mass: 260.264

Atom Count: 32

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 260.084872442
Formal Charge 0
FSP3 0.13
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey MGTOQBFIUUWOKP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.65
Topological Polar Surface Area 46.53
Polarizability 26.21
Ring Count 2
Rotatable Bond Count 4

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95% <5 Days 1215030-99-1 $2,842.00-$6,676.00$2,842.00$6,676.00
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