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Safinamide Impurity 8

CAT: 1299-RM-S061434-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-S061434-01Size:10 mg
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CAS Number
1205608-96-3
Synonyms
1-fluoro-3- ((p-tolyloxy) methyl) benzene
Molecular Formula
C14H13FO
Molecular Weight
216.26
Target Alternative Name
Safinamide
Product Name Synonym
1-fluoro-3- ((p-tolyloxy) methyl) benzene

Chemical Information

1-Fluoro-3-((p-tolyloxy)methyl)benzene
CAS Number1205608-96-3
PubChem CID52145978
IUPAC Name1-fluoro-3-[(4-methylphenoxy)methyl]benzene
Molecular FormulaC14H13FO
Molecular Weight216.25
XLogP4.2
Topological Polar Surface Area9.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count16
Formal Charge0
Complexity199
SMILES
CC1=CC=C(C=C1)OCC2=CC(=CC=C2)F
InChI
InChI=1S/C14H13FO/c1-11-5-7-14(8-6-11)16-10-12-3-2-4-13(15)9-12/h2-9H,10H2,1H3
InChIKey
VIBNQGORIPGYGN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Fluoro-3-((p-tolyloxy)methyl)benzene
CAS: 1205608-96-3
CID: 52145978
Formula: C14H13FO
MW: 216.25
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight216.25
XLogP34.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass216.095043196
Monoisotopic Mass216.095043196
Topological Polar Surface Area9.2 Ų
Heavy Atom Count16
Formal Charge0
Complexity199
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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