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2-Ethyl-4-fluoroaniline

CAT: 0127-PC1006998-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1006998-01Size:100 mg
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CAS Number
331763-37-2
MDL Number
MFCD16658617
Purity
97%
Smiles
NC1=CC=C(F)C=C1CC

Chemical Information

2-Ethyl-4-fluoroaniline
CAS Number331763-37-2
PubChem CID20434655
IUPAC Name2-ethyl-4-fluoroaniline
Molecular FormulaC8H10FN
Molecular Weight139.17
XLogP2.1
Topological Polar Surface Area26
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity105
SMILES
CCC1=C(C=CC(=C1)F)N
InChI
InChI=1S/C8H10FN/c1-2-6-5-7(9)3-4-8(6)10/h3-5H,2,10H2,1H3
InChIKey
AFCGCODEEUFDAF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Ethyl-4-fluoroaniline
CAS: 331763-37-2
CID: 20434655
Formula: C8H10FN
MW: 139.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight139.17
XLogP32.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass139.079727485
Monoisotopic Mass139.079727485
Topological Polar Surface Area26 Ų
Heavy Atom Count10
Formal Charge0
Complexity105
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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GNA76337-012-Ethyl-4-fluoroaniline
BYB94386-014-Ethyl-2-fluoroaniline hydrochloride
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