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1-Fluoro-4-Nitrosobenzene

CAT: 1299-RG-F122130-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RG-F122130-01Size:10 mg
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CAS Number
352-15-8
Synonyms
1-fluoro-4-nitrosobenzene
Molecular Formula
C6H4FNO
Molecular Weight
125.1
Product Name Synonym
1-fluoro-4-nitrosobenzene

Chemical Information

1-Fluoro-4-nitrosobenzene
CAS Number352-15-8
PubChem CID643581
IUPAC Name1-fluoro-4-nitrosobenzene
Molecular FormulaC6H4FNO
Molecular Weight125.10
XLogP1.7
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count9
Formal Charge0
Complexity99
SMILES
C1=CC(=CC=C1N=O)F
InChI
InChI=1S/C6H4FNO/c7-5-1-3-6(8-9)4-2-5/h1-4H
InChIKey
OJQKZDGBPNKBLU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-Fluoro-4-nitrosobenzene
CAS: 352-15-8
CID: 643581
Formula: C6H4FNO
MW: 125.10
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight125.10
XLogP31.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass125.027691913
Monoisotopic Mass125.027691913
Topological Polar Surface Area29.4 Ų
Heavy Atom Count9
Formal Charge0
Complexity99.2
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