Diethyl(4-cyanobenzyl)phosphonate - CAS 1552-41-6
Catalog: |
BB043417 |
Product Name: |
Diethyl(4-cyanobenzyl)phosphonate |
CAS: |
1552-41-6 |
Synonyms: |
4-(DIETHYLPHOSPHONOMETHYL)BENZONITRILE; (4-CYANOBENZYL)PHOSPHONIC ACID DIETHYL ESTER; DIETHYL (4-CYANOBENZYL)PHOSPHONATE; 4-(Diethoxyphosphorylmethyl)benzonitrile; 4-(diethoxyphosphorylmethyl)benzenecarbonitrile |
IUPAC Name: | 4-(diethoxyphosphorylmethyl)benzonitrile |
Description: | Diethyl(4-cyanobenzyl)phosphonate (CAS# 1552-41-6 ) is a useful research chemical. |
Molecular Weight: | 253.23 |
Molecular Formula: | C12H16NO3P |
Canonical SMILES: | CCOP(=O)(CC1=CC=C(C=C1)C#N)OCC |
InChI: | InChI=1S/C12H16NO3P/c1-3-15-17(14,16-4-2)10-12-7-5-11(9-13)6-8-12/h5-8H,3-4,10H2,1-2H3 |
InChI Key: | MFXWOYIWKNJHPC-UHFFFAOYSA-N |
Purity: | > 98.0 % (GC) |
Complexity: | 305 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 253.08678037 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 253.08678037 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 59.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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