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2-(3-fluoro-4-nitrophenyl)propanoic acid

2-(3-fluoro-4-nitrophenyl)propanoic acid

Formula: C9H8FNO4

SMILES: CC(C(O)=O)C1=CC(F)=C(C=C1)[N+]([O-])=O

IUPAC: 2-(3-fluoro-4-nitrophenyl)propanoic acid

InChI: InChI=1/C9H8FNO4/c1-5(9(12)13)6-2-3-8(11(14)15)7(10)4-6/h2-5H,1H3,(H,12,13)

Composition: C (50.71%), H (3.78%), F (8.91%), N (6.57%), O (30.02%)

Molar Mass: 213.164

Atom Count: 23

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 213.043735905
Formal Charge 0
FSP3 0.22
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey GALSVFOXBFKMEG-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.48
Topological Polar Surface Area 80.44
Polarizability 18.12
Ring Count 1
Rotatable Bond Count 3

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Purity (%)
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Purity LeadTime Formula UnitPrice
98% <10 Days C9H8FNO4 Quote Only