| CAS Number | 31120-85-1 |
| Catalog Number | AG00BDC7(AGN-PC-0R6F66) |
| Chemical Name | Isofenphos oxon |
| IUPAC Name | propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate |
| InChI | InChI=1S/C15H24NO5P/c1-6-19-22(18,16-11(2)3)21-14-10-8-7-9-13(14)15(17)20-12(4)5/h7-12H,6H2,1-5H3,(H,16,18) |
| InChI Key | DZUPKTNAUCDVTL-UHFFFAOYSA-N |
| MDL Number | MFCD00467742 |
| Molecular Formula | C15H24NO5P |
| Molecular Weight | 329.3285 |
| SMILES | O=C(OC(C)C)C1=CC=CC=C1OP(NC(C)C)(OCC)=O |
| Synonyms | ISOFENPHOS OXON,
ISOFENPHOS-OXON,
31120-85-1,
CCRIS 7778,
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphoryl]oxybenzoate,
Benzoic acid, 2-((ethoxy((1-methylethyl)amino)phosphinyl)oxy)-, 1-methylethyl ester,
Oxyisofenphos,
Isofenphos-o-analogue,
AC1L1UBM,
SCHEMBL7157665,
DZUPKTNAUCDVTL-UHFFFAOYSA-N,
ACM31120851,
LS-188561,
J-018247,
isopropyl 2-(ethoxy(isopropylamino)phosphoryloxy)benzoate,
Isopropyl 2-([ethoxy(isopropylamino)phosphoryl]oxy)benzoate #,
CID35736,
C15-H24-N-O5-P,
|
| Complexity | 399 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.139g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.333g/mol |
| Monoisotopic Mass | 329.139g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 73.9A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number