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5-Chloro-2-fluoroaniline

CAT: 0013-GTR19251150-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0013-GTR19251150-01Size:1 g
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Description
5-Chloro-2-fluoroaniline
CAS Number
2106-05-0
Purity
>99.99% (May vary between batches)
Smiles
NC1=CC (Cl) =CC=C1F
Molecular Formula
C6H5ClFN
Molecular Weight
145.56
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

5-Chloro-2-fluoroaniline
CAS Number2106-05-0
PubChem CID75015
IUPAC Name5-chloro-2-fluoroaniline
Molecular FormulaC6H5ClFN
Molecular Weight145.56
XLogP2.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=C(C=C1Cl)N)F
InChI
InChI=1S/C6H5ClFN/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey
JCYROOANFKVAIB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 5-Chloro-2-fluoroaniline
CAS: 2106-05-0
CID: 75015
Formula: C6H5ClFN
MW: 145.56
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight145.56
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass145.0094550
Monoisotopic Mass145.0094550
Topological Polar Surface Area26 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.1
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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