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Nitrosobenzene

CAT: 0931-T35968-03Size: 25 gDry Ice: NoHazardous: No
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CAT#:0931-T35968-03Size:25 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
586-96-9
Target
Others, Reactive Oxygen Species
Related Pathways
Metabolism, Others, NF-κB, Immunology/Inflammation
Bioactivity
Nitrosobenzene is a spin trap that has been used in the study of oxidative DNA damage and nitroso-compound-induced respiratory burst in neutrophils.
Smiles
O=Nc1ccccc1
Molecular Formula
C6H5NO
Molecular Weight
107.112
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Nitrosobenzene

Nitrosobenzene is a nitroso compound that is the nitroso derivative of benzene; a diamagnetic hybrid of singlet O2 and azobenzene. It has a role as a xenobiotic metabolite. It is a member of benzenes and a nitroso compound. It is functionally related to a benzene.

CAS Number586-96-9
PubChem CID11473
IUPAC Namenitrosobenzene
Molecular FormulaC6H5NO
Molecular Weight107.11
XLogP2
Topological Polar Surface Area29.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity76
SMILES
C1=CC=C(C=C1)N=O
InChI
InChI=1S/C6H5NO/c8-7-6-4-2-1-3-5-6/h1-5H
InChIKey
NLRKCXQQSUWLCH-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Nitrosobenzene
CAS: 586-96-9
CID: 11473
Formula: C6H5NO
MW: 107.11
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight107.11
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass107.037113783
Monoisotopic Mass107.037113783
Topological Polar Surface Area29.4 Ų
Heavy Atom Count8
Formal Charge0
Complexity76.6
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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