| CAS Number | 380894-77-9 |
| Catalog Number | AG00BXLS(AGN-PC-0158A5) |
| Chemical Name | Phosphonic acid, [[5-(3-fluorophenyl)-2-pyridinyl]Methyl]-, diethyl ester |
| IUPAC Name | 2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine |
| InChI | InChI=1S/C16H19FNO3P/c1-3-20-22(19,21-4-2)12-16-9-8-14(11-18-16)13-6-5-7-15(17)10-13/h5-11H,3-4,12H2,1-2H3 |
| InChI Key | CPOPYWOLIYKTLP-UHFFFAOYSA-N |
| MDL Number | MFCD22376876 |
| Molecular Formula | C16H19FNO3P |
| Molecular Weight | 323.2991 |
| SMILES | FC1=CC(C2=CN=C(CP(OCC)(OCC)=O)C=C2)=CC=C1 |
| Synonyms | 380894-77-9,
Diethyl ((5-(3-fluorophenyl)pyridin-2-yl)methyl)phosphonate,
Phosphonic acid, [[5-(3-fluorophenyl)-2-pyridinyl]methyl]-, diethyl ester,
[[5-(3-Fluorophenyl)-2-pyridinyl]methyl]phosphonic acid diethyl ester,
diethyl {[5-(3-fluorophenyl)pyridin-2-yl]methyl}phosphonate,
SCHEMBL751371,
KS-00000SUH,
MFCD22376876,
[[5-(3-Fluorophenyl)-2-Pyridinyl]Methyl]-phosphonic acid Diethyl Ester,
AKOS025286290,
ZINC114515529,
ACN-048294,
AC-29302,
AK165820,
SC-93425,
diethyl ((5-(3-fluorophenyl)pyridin-2-yl)methyl)ph,
2-(diethoxyphosphorylmethyl)-5-(3-fluorophenyl)pyridine,
diethyl [5-(3-fluorophenyl)pyridin-2-yl]methylphosphonate,
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| Complexity | 372 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 323.109g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 323.304g/mol |
| Monoisotopic Mass | 323.109g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 48.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number