Diethyl (Nitromethyl)phosphonate - CAS 53753-37-0
Catalog: |
BB028344 |
Product Name: |
Diethyl (Nitromethyl)phosphonate |
CAS: |
53753-37-0 |
Synonyms: |
1-[ethoxy(nitromethyl)phosphoryl]oxyethane; 1-[ethoxy(nitromethyl)phosphoryl]oxyethane |
IUPAC Name: | 1-[ethoxy(nitromethyl)phosphoryl]oxyethane |
Description: | Diethyl (Nitromethyl)phosphonate (CAS# 53753-37-0 ) is a useful research chemical. |
Molecular Weight: | 197.13 |
Molecular Formula: | C5H12NO5P |
Canonical SMILES: | CCOP(=O)(C[N+](=O)[O-])OCC |
InChI: | InChI=1S/C5H12NO5P/c1-3-10-12(9,11-4-2)5-6(7)8/h3-5H2,1-2H3 |
InChI Key: | UPZUEDDBUDQFQB-UHFFFAOYSA-N |
LogP: | 2.00990 |
Publication Number | Title | Priority Date |
US-6287840-B1 | Irreversible cysteine protease inhibitors containing vinyl groups conjugated to electron withdrawing groups | 19940225 |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 197.04530948 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 197.04530948 |
Rotatable Bond Count: | 5 |
Topological Polar Surface Area: | 81.4 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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