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4-Nitrofluorobenzene-13C6

CAT: 0572-TRC-N493837-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-N493837-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1958100-79-2
Hazard Statement
No Data Available
Smiles
[O-][N+](=O)[13c]1[13cH][13cH][13c](F)[13cH][13cH]1
Molecular Formula
13C6 H4 F N O2
Molecular Weight
147.056
InChI
InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
Additionnal Information
IUPAC name: 1-fluoro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Shipping Conditions
Room Temperature

Chemical Information

1-Fluoro-4-nitrobenzene-13C6
CAS Number1958100-79-2
PubChem CID91655003
IUPAC Name1-fluoro-4-nitro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Molecular FormulaC6H4FNO2
Molecular Weight147.056
XLogP1.8
Topological Polar Surface Area45.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1[N+](=O)[O-])F
InChI
InChI=1S/C6H4FNO2/c7-5-1-3-6(4-2-5)8(9)10/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
WFQDTOYDVUWQMS-IDEBNGHGSA-N
Chemical Structure
2D Structure
2D structure of 1-Fluoro-4-nitrobenzene-13C6
CAS: 1958100-79-2
CID: 91655003
Formula: C6H4FNO2
MW: 147.056
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight147.056
XLogP31.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass147.04273554
Monoisotopic Mass147.04273554
Topological Polar Surface Area45.8 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
Isotope Atom Count6
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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Alternative Products

CatalogName
161531-014-Nitrofluorobenzene
233377-014-Methylsulfonyl-2-nitrofluorobenzene
432824-014-Iodo-2-nitrofluorobenzene
165702O-Nitrofluorobenzene
CS-I-00437Menaquinone-4-[13C6] (MK4-[13C6])
F03600-014-Fluoronitrobenzene Syunonym: 1-Fluoro-4-nitrobenzene, 4-Nitrofluorobenzene
AR-B06801-01Benzoresorcinol-13C6 (2,4-Dihydroxybenzophenone-13C6)
PXB44155-014-Anisaldehyde-13C6
CS-EK-021314-Hydroxymidazolam 13C6
HY-W009300S1-014-Hydroxyestrone-13C6

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