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P-Nitrobenzyl mesylate

CAT: 0957-E1248-100mgSize: 100 mgDry Ice: NoHazardous: No
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CAT#:0957-E1248-100mgSize:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
39628-94-9
Target
Others
Applications
Others
Smiles
C[S; v6] (=O) (=O) OCC1=CC=C (C=C1) [N; v5] (=O) =O
Molecular Formula
C8H9NO5S
Additionnal Information
P-Nitrobenzyl mesylate is an alkylating reagent for direct kinase substrate identification.
Storage Conditions
3 years -20°C powder

Chemical Information

4-Nitrobenzyl methanesulfonate
CAS Number39628-94-9
PubChem CID18924794
IUPAC Name(4-nitrophenyl)methyl methanesulfonate
Molecular FormulaC8H9NO5S
Molecular Weight231.23
XLogP1
Topological Polar Surface Area97.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Heavy Atom Count15
Formal Charge0
Complexity307
SMILES
CS(=O)(=O)OCC1=CC=C(C=C1)[N+](=O)[O-]
InChI
InChI=1S/C8H9NO5S/c1-15(12,13)14-6-7-2-4-8(5-3-7)9(10)11/h2-5H,6H2,1H3
InChIKey
QZIYKAFPHRTIAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Nitrobenzyl methanesulfonate
CAS: 39628-94-9
CID: 18924794
Formula: C8H9NO5S
MW: 231.23
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight231.23
XLogP31
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count3
Exact Mass231.02014356
Monoisotopic Mass231.02014356
Topological Polar Surface Area97.6 Ų
Heavy Atom Count15
Formal Charge0
Complexity307
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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Alternative Products

CatalogName
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