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3-Fluoroaniline-d5

CAT: 0024-sc-496846Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-496846Size:50 mg
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CAS Number
1398065-56-9

Chemical Information

3-Fluoroaniline-2,4,6-d3,ND2
CAS Number1398065-56-9
PubChem CID121494029
IUPAC NameN,N,2,4,6-pentadeuterio-3-fluoroaniline
Molecular FormulaC6H6FN
Molecular Weight116.15
XLogP1.3
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity74
SMILES
[2H]C1=CC(=C(C(=C1N([2H])[2H])[2H])F)[2H]
InChI
InChI=1S/C6H6FN/c7-5-2-1-3-6(8)4-5/h1-4H,8H2/i2D,3D,4D/hD2
InChIKey
QZVQQUVWFIZUBQ-TZVKMIMGSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoroaniline-2,4,6-d3,ND2
CAS: 1398065-56-9
CID: 121494029
Formula: C6H6FN
MW: 116.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight116.15
XLogP31.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass116.079811087
Monoisotopic Mass116.079811087
Topological Polar Surface Area26 Ų
Heavy Atom Count8
Formal Charge0
Complexity74.9
Isotope Atom Count5
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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425764-013-Fluoroaniline-d5
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FB679282-Bromo-3-fluoroaniline
ANB49420-01N-Cyclopentyl-3-fluoroaniline
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