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5-Fluoroanthranilic Acid

CAT: 0024-sc-217185CSize: 250 gDry Ice: NoHazardous: No
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CAT#:0024-sc-217185CSize:250 g
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CAS Number
446-08-2

Chemical Information

2-Amino-5-fluorobenzoic acid

5-fluoroanthranilic acid is an aminobenzoic acid that is anthranilic acid in which the hydrogen at position 5 on the phenyl ring is replaced by fluorine. It has a role as an antimetabolite. It is an aminobenzoic acid and an organofluorine compound. It is functionally related to an anthranilic acid.

CAS Number446-08-2
PubChem CID101412
IUPAC Name2-amino-5-fluorobenzoic acid
Molecular FormulaC7H6FNO2
Molecular Weight155.13
XLogP1
Topological Polar Surface Area63.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity163
SMILES
C1=CC(=C(C=C1F)C(=O)O)N
InChI
InChI=1S/C7H6FNO2/c8-4-1-2-6(9)5(3-4)7(10)11/h1-3H,9H2,(H,10,11)
InChIKey
FPQMGQZTBWIHDN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Amino-5-fluorobenzoic acid
CAS: 446-08-2
CID: 101412
Formula: C7H6FNO2
MW: 155.13
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.13
XLogP31
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass155.03825660
Monoisotopic Mass155.03825660
Topological Polar Surface Area63.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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