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13113-88-7 | Phosphonic acid, P-(dichloromethyl)-
CAS No: 13113-88-7 Catalog No: AG000VLP MDL No:
Product Description
Catalog Number:
AG000VLP
Chemical Name:
Phosphonic acid, P-(dichloromethyl)-
CAS Number:
13113-88-7
Molecular Formula:
CH3Cl2O3P
Molecular Weight:
164.9125
IUPAC Name:
dichloromethylphosphonic acid
InChI:
InChI=1S/CH3Cl2O3P/c2-1(3)7(4,5)6/h1H,(H2,4,5,6)
InChI Key:
IXTGXVWLIBNABC-UHFFFAOYSA-N
SMILES:
ClC(P(=O)(O)O)Cl
Properties
Complexity:
95.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.92g/mol
Formal Charge:
0
Heavy Atom Count:
7
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
164.906g/mol
Monoisotopic Mass:
163.92g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
57.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
Literature
| Title | Journal |
|---|---|
| Impurity profiling to match a nerve agent to its precursor source for chemical forensics applications. | Analytical chemistry 20111215 |
| Signature-discovery approach for sample matching of a nerve-agent precursor using liquid chromatography-mass spectrometry, XCMS, and chemometrics. | Analytical chemistry 20100515 |
| The mechanism of nucleophilic displacements at phosphorus in chloro-substituted methylphosphonate esters: P-O vs P-C bond cleavage: a DFT study. | The Journal of organic chemistry 20100319 |
| Synthesis of a hydrolytically stable, fluorescent-labeled ATP analog as a tool for probing adenylyl cyclases. | Bioorganic & medicinal chemistry letters 20100101 |
| Synthesis of dinucleoside (N3'-->MeP5') methanephosphonamidates. | Organic letters 20020516 |
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