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3-fluoro-2-(pyrimidin-2-yl)benzoic acid

3-fluoro-2-(pyrimidin-2-yl)benzoic acid

Formula: C11H7FN2O2

SMILES: OC(=O)C1=C(C(F)=CC=C1)C1=NC=CC=N1

IUPAC: 3-fluoro-2-(pyrimidin-2-yl)benzoic acid

InChI: InChI=1S/C11H7FN2O2/c12-8-4-1-3-7(11(15)16)9(8)10-13-5-2-6-14-10/h1-6H,(H,15,16)

Composition: C (60.55%), H (3.23%), F (8.71%), N (12.84%), O (14.67%)

Molar Mass: 218.187

Atom Count: 23

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 218.049155636
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey NWDXVJNAXAQTFY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 65.61
Topological Polar Surface Area 63.08
Polarizability 20.86
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
97% <7 Days C11H7FN2O2 $33.66-$583.44$33.66$122.49$583.44
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98% <10 Days C11H7FN2O2 Quote Only
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