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2- (3-fluorophenyl) oxirane

CAT: 0024-sc-339667ASize: 1 gDry Ice: NoHazardous: No
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CAT#:0024-sc-339667ASize:1 g
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CAS Number
18511-63-2

Chemical Information

2-(3-Fluorophenyl)oxirane
CAS Number18511-63-2
PubChem CID15293916
IUPAC Name2-(3-fluorophenyl)oxirane
Molecular FormulaC8H7FO
Molecular Weight138.14
XLogP1.8
Topological Polar Surface Area12.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1C(O1)C2=CC(=CC=C2)F
InChI
InChI=1S/C8H7FO/c9-7-3-1-2-6(4-7)8-5-10-8/h1-4,8H,5H2
InChIKey
HNBRZCKMGQHNJA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(3-Fluorophenyl)oxirane
CAS: 18511-63-2
CID: 15293916
Formula: C8H7FO
MW: 138.14
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight138.14
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass138.048093005
Monoisotopic Mass138.048093005
Topological Polar Surface Area12.5 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes