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3-Ethoxy-4-fluoroaniline

CAT: 1266-JH919572Size: 1 EachDry Ice: NoHazardous: No
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CAS Number
1262881-14-0
Molecular Formula
C8H10FNO
Molecular Weight
155.17

Chemical Information

3-Ethoxy-4-fluoroaniline
CAS Number1262881-14-0
PubChem CID54164044
IUPAC Name3-ethoxy-4-fluoroaniline
Molecular FormulaC8H10FNO
Molecular Weight155.17
XLogP1.6
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count11
Formal Charge0
Complexity121
SMILES
CCOC1=C(C=CC(=C1)N)F
InChI
InChI=1S/C8H10FNO/c1-2-11-8-5-6(10)3-4-7(8)9/h3-5H,2,10H2,1H3
InChIKey
XOXRXFSOWBRKEL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Ethoxy-4-fluoroaniline
CAS: 1262881-14-0
CID: 54164044
Formula: C8H10FNO
MW: 155.17
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight155.17
XLogP31.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass155.074642105
Monoisotopic Mass155.074642105
Topological Polar Surface Area35.3 Ų
Heavy Atom Count11
Formal Charge0
Complexity121
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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