Diethyl (4-chloromethyl)benzylphosphonate - CAS 25596-72-9
Catalog: |
BB043631 |
Product Name: |
Diethyl (4-chloromethyl)benzylphosphonate |
CAS: |
25596-72-9 |
Synonyms: |
Phosphonic acid, P-[[4-(chloromethyl)phenyl]methyl]-, diethyl ester; Phosphonic acid, [[4-(chloromethyl)phenyl]methyl]-, diethyl ester; SCHEMBL3393833; CTK0I6644 |
IUPAC Name: | 1-(chloromethyl)-4-(diethoxyphosphorylmethyl)benzene |
Description: | Diethyl (4-chloromethyl)benzylphosphonate (CAS# 25596-72-9 ) is a useful research chemical. |
Molecular Weight: | 276.70 |
Molecular Formula: | C12H18ClO3P |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)CCl)OCC |
InChI: | InChI=1S/C12H18ClO3P/c1-3-15-17(14,16-4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,9-10H2,1-2H3 |
InChI Key: | CQUMASLUBXOYPU-UHFFFAOYSA-N |
Purity: | 95 % |
Complexity: | 242 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.0682091 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.0682091 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 35.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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