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3-Fluoro-2-propoxyaniline

CAT: 0926-QMC62638-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-QMC62638-01Size:100 mg
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CAS Number
1565626-38-1
MDL Number
MFCD26961255
Smiles
CCCOC1=C (C=CC=C1F) N
Molecular Formula
C9H12FNO
Molecular Weight
169.2 g/mol
Controlled
No

Chemical Information

3-Fluoro-2-propoxyaniline
CAS Number1565626-38-1
PubChem CID104831270
IUPAC Name3-fluoro-2-propoxyaniline
Molecular FormulaC9H12FNO
Molecular Weight169.20
XLogP2.2
Topological Polar Surface Area35.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count12
Formal Charge0
Complexity132
SMILES
CCCOC1=C(C=CC=C1F)N
InChI
InChI=1S/C9H12FNO/c1-2-6-12-9-7(10)4-3-5-8(9)11/h3-5H,2,6,11H2,1H3
InChIKey
IRXHPDMNUYSAKA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluoro-2-propoxyaniline
CAS: 1565626-38-1
CID: 104831270
Formula: C9H12FNO
MW: 169.20
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight169.20
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass169.090292168
Monoisotopic Mass169.090292168
Topological Polar Surface Area35.3 Ų
Heavy Atom Count12
Formal Charge0
Complexity132
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