| CAS Number | 10479-85-3 |
| Catalog Number | AG0095QW |
| Chemical Name | Ethyl 4-chlorocrotonate |
| IUPAC Name | ethyl 4-chlorobut-2-enoate |
| InChI | InChI=1S/C6H9ClO2/c1-2-9-6(8)4-3-5-7/h3-4H,2,5H2,1H3 |
| InChI Key | JJZUTSOGYBJOOF-UHFFFAOYSA-N |
| MDL Number | MFCD19236920 |
| Molecular Formula | C6H9ClO2 |
| Molecular Weight | 148.5875 |
| SMILES | CCOC(=O)/C=C/CCl |
| Synonyms | ethyl 4-chlorobut-2-enoate,
10479-85-3,
15333-22-9,
Ethyl 4-chlorocrotonate,
CTK0E8042,
DTXSID20778850,
2-Butenoic acid, 4-chloro-, ethyl ester,
4-chloro-but-2-enoic acid ethyl ester,
|
| Complexity | 110 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 148.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 148.586g/mol |
| Monoisotopic Mass | 148.029g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 1 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number