| CAS Number | 71526-69-7 |
| Catalog Number | AG00FAV4(AGN-PC-0TZ00W) |
| Chemical Name | Mecoprop 2-ethylhexyl ester |
| EC Number | 275-596-0 |
| IUPAC Name | 2-ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate |
| InChI | InChI=1S/C18H27ClO3/c1-5-7-8-15(6-2)12-21-18(20)14(4)22-17-10-9-16(19)11-13(17)3/h9-11,14-15H,5-8,12H2,1-4H3 |
| InChI Key | NWTKQOOQEPXMMW-UHFFFAOYSA-N |
| MDL Number | MFCD01310646 |
| Molecular Formula | C18H27ClO3 |
| Molecular Weight | 326.8582 |
| SMILES | CCCCC(CC)COC(=O)C(C)OC1=C(C=C(C=C1)Cl)C |
| Synonyms | 71526-69-7,
2-Ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate,
2-Ethylhexyl 2-(4-chloro-2-methylphenoxy)propionate,
Mecoprop 2-ethylhexyl ester,
EINECS 275-596-0,
AC1LCB1D,
Mecoprop-2-ethylhexyl ester,
SCHEMBL6440730,
NWTKQOOQEPXMMW-UHFFFAOYSA-N,
Propanoic acid, 2-(4-chloro-2-methylphenoxy)-, 2-ethylhexyl ester,
W-111450,
2-Ethylhexyl 2-(4-chloro-2-methylphenoxy)propanoate #,
2-(4-Chloro-2-methylphenoxy)propanoic acid 2-ethylhexyl ester,
C18-H27-Cl-O3,
CID598095,
|
| Complexity | 322 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 326.165g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 22 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.861g/mol |
| Monoisotopic Mass | 326.165g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 2 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 6.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number