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2-[(2-fluorophenyl)methyl]butanedioic acid

2-[(2-fluorophenyl)methyl]butanedioic acid

Formula: C11H11FO4

SMILES: OC(=O)CC(CC1=C(F)C=CC=C1)C(O)=O

IUPAC: 2-[(2-fluorophenyl)methyl]butanedioic acid

InChI: InChI=1/C11H11FO4/c12-9-4-2-1-3-7(9)5-8(11(15)16)6-10(13)14/h1-4,8H,5-6H2,(H,13,14)(H,15,16)

Composition: C (58.41%), H (4.90%), F (8.40%), O (28.29%)

Molar Mass: 226.203

Atom Count: 27

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 226.064136997
Formal Charge 0
FSP3 0.27
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey FIZZHEMBZKNNTJ-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.02
Topological Polar Surface Area 74.6
Polarizability 20.38
Ring Count 1
Rotatable Bond Count 5

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Purity LeadTime Formula PacketSize UnitPrice
95% 1 Day C11H11FO4 $383.29-$1,415.23$383.29$707.62$1,415.23
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