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2-Fluoroaniline pure, 98%

CAT: 0565-57482-01Size: 100 mLDry Ice: NoHazardous: No
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CAT#:0565-57482-01Size:100 mL
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Description
Part B
CAS Number
348-54-9
UN Code
UN No.: 2941, IMCO Class No.: 6.1, Packing Group: III
Storage Temperature
Room Temperature

Chemical Information

2-Fluoroaniline

2-fluoroaniline is a derivative of aniline in which the hydrogen at position 2 has been substituted by fluorine. It is used as a pharmaceutical intermediate. It is a fluoroaniline and a primary arylamine.

CAS Number348-54-9
PubChem CID9584
IUPAC Name2-fluoroaniline
Molecular FormulaC6H6FN
Molecular Weight111.12
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
C1=CC=C(C(=C1)N)F
InChI
InChI=1S/C6H6FN/c7-5-3-1-2-4-6(5)8/h1-4H,8H2
InChIKey
FTZQXOJYPFINKJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoroaniline
CAS: 348-54-9
CID: 9584
Formula: C6H6FN
MW: 111.12
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight111.12
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass111.048427358
Monoisotopic Mass111.048427358
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
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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