| CAS Number | 77237-55-9 |
| Catalog Number | AG003PEV(AGN-PC-01W86V) |
| Chemical Name | 1-(DIETHYLPHOSPHONOMETHYL)-4-ISOPROPYLBENZENE |
| IUPAC Name | 1-(diethoxyphosphorylmethyl)-4-propan-2-ylbenzene |
| InChI | InChI=1S/C14H23O3P/c1-5-16-18(15,17-6-2)11-13-7-9-14(10-8-13)12(3)4/h7-10,12H,5-6,11H2,1-4H3 |
| InChI Key | IQDLJDZVTOWKTB-UHFFFAOYSA-N |
| MDL Number | MFCD08276362 |
| Molecular Formula | C14H23O3P |
| Molecular Weight | 270.3044 |
| SMILES | CC(C1=CC=C(C=C1)CP(OCC)(OCC)=O)C |
| Synonyms | Diethyl (4-Isopropylbenzyl)phosphonate,
77237-55-9,
diethyl 4-isopropylbenzylphosphonate,
1-(Diethylphosphonomethyl)-4-isopropylbenzene,
ACMC-209p8o,
1-(diethoxyphosphorylmethyl)-4-propan-2-ylbenzene,
SCHEMBL5410661,
4-(Diethylphosphonomethyl)cumene,
CTK2G0301,
DTXSID60593983,
ANW-36982,
MFCD08276362,
ZINC44069293,
AKOS015838382,
TR-024692,
D3325,
(4-Isopropylbenzyl)phosphonic Acid Diethyl Ester,
Diethyl {[4-(propan-2-yl)phenyl]methyl}phosphonate,
Phosphonic acid, [[4-(1-methylethyl)phenyl]methyl]-, diethyl ester,
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| Complexity | 260 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.138g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 270.309g/mol |
| Monoisotopic Mass | 270.138g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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