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4- (2-Fluoroethyl) aniline

CAT: 0926-CNA98514-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-CNA98514-01Size:50 mg
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CAS Number
327985-14-8
MDL Number
MFCD19214685
Smiles
C1=CC (=CC=C1CCF) N
Molecular Formula
C8H10FN
Molecular Weight
139.17 g/mol
Controlled
No

Chemical Information

4-(2-Fluoroethyl)aniline
CAS Number327985-14-8
PubChem CID17828880
IUPAC Name4-(2-fluoroethyl)aniline
Molecular FormulaC8H10FN
Molecular Weight139.17
XLogP1.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Heavy Atom Count10
Formal Charge0
Complexity87
SMILES
C1=CC(=CC=C1CCF)N
InChI
InChI=1S/C8H10FN/c9-6-5-7-1-3-8(10)4-2-7/h1-4H,5-6,10H2
InChIKey
PYFJEDYCQWECQN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-(2-Fluoroethyl)aniline
CAS: 327985-14-8
CID: 17828880
Formula: C8H10FN
MW: 139.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight139.17
XLogP31.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count2
Exact Mass139.079727485
Monoisotopic Mass139.079727485
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity87.3
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