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2-fluoro-5-(hydroxymethyl)benzoic acid

2-fluoro-5-(hydroxymethyl)benzoic acid

CAS: 481075-38-1

Formula: C8H7FO3

SMILES: OCC1=CC(C(O)=O)=C(F)C=C1

IUPAC: 2-fluoro-5-(hydroxymethyl)benzoic acid

InChI: InChI=1S/C8H7FO3/c9-7-2-1-5(4-10)3-6(7)8(11)12/h1-3,10H,4H2,(H,11,12)

Composition: C (56.48%), H (4.15%), F (11.17%), O (28.21%)

Molar Mass: 170.139

Atom Count: 19

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 170.037922248
Formal Charge 0
FSP3 0.12
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey IYKWCHKBOKMSGF-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 40.35
Topological Polar Surface Area 57.53
Polarizability 14.92
Ring Count 1
Rotatable Bond Count 2

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93% <2 Days 481075-38-1 $51.35-$449.02$51.35$63.37$86.31$292.79$449.02
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