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2-acetamido-3-fluorobenzoic acid

2-acetamido-3-fluorobenzoic acid

CAS: 550346-18-4

Formula: C9H8FNO3

SMILES: CC(=O)NC1=C(C=CC=C1F)C(O)=O

IUPAC: 2-acetamido-3-fluorobenzoic acid

InChI: InChI=1S/C9H8FNO3/c1-5(12)11-8-6(9(13)14)3-2-4-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)

Composition: C (54.83%), H (4.09%), F (9.64%), N (7.10%), O (24.34%)

Molar Mass: 197.165

Atom Count: 22

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 197.048821285
Formal Charge 0
FSP3 0.11
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey CRYXMLONVFAWEC-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 48.39
Topological Polar Surface Area 66.4
Polarizability 17.36
Ring Count 1
Rotatable Bond Count 2

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