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M-Cresol, 4-nitro-, diethyl phosphate

CAT: 0013-GTR19222922-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19222922-01Size:100 mg
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Description
This bioactive small molecule, diethyl 3-methyl-4-nitrophenyl phosphate, is a research chemical. It is utilized in biochemical studies, including in vitro enzyme assays, to investigate phosphorylation mechanisms and related signaling pathways.
CAS Number
14143-03-4
Smiles
O=N (=O) C1=CC=C (OP (=O) (OCC) OCC) C=C1C
Molecular Formula
C11H16NO6P
Molecular Weight
289.22
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Phosphoric acid, diethyl 3-methyl-4-nitrophenyl ester
CAS Number14143-03-4
PubChem CID13880392
IUPAC Namediethyl (3-methyl-4-nitrophenyl) phosphate
Molecular FormulaC11H16NO6P
Molecular Weight289.22
XLogP2.4
Topological Polar Surface Area90.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Heavy Atom Count19
Formal Charge0
Complexity335
SMILES
CCOP(=O)(OCC)OC1=CC(=C(C=C1)[N+](=O)[O-])C
InChI
InChI=1S/C11H16NO6P/c1-4-16-19(15,17-5-2)18-10-6-7-11(12(13)14)9(3)8-10/h6-8H,4-5H2,1-3H3
InChIKey
OIKPCDXGOZUSIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Phosphoric acid, diethyl 3-methyl-4-nitrophenyl ester
CAS: 14143-03-4
CID: 13880392
Formula: C11H16NO6P
MW: 289.22
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight289.22
XLogP32.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count6
Rotatable Bond Count6
Exact Mass289.07152423
Monoisotopic Mass289.07152423
Topological Polar Surface Area90.6 Ų
Heavy Atom Count19
Formal Charge0
Complexity335
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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