| CAS Number | 107408-35-5 |
| Catalog Number | AG01DMDO(AGN-PC-0NWMZD) |
| Chemical Name | 7-CHLORO-TRANS-2-HEPENOIC ACID ETHYL ESTER |
| IUPAC Name | ethyl (E)-7-chlorohept-2-enoate |
| InChI | InChI=1S/C9H15ClO2/c1-2-12-9(11)7-5-3-4-6-8-10/h5,7H,2-4,6,8H2,1H3/b7-5+ |
| InChI Key | QRJDSTPXJIADET-FNORWQNLSA-N |
| MDL Number | MFCD05863885 |
| Molecular Formula | C9H15ClO2 |
| Molecular Weight | 190.6672 |
| SMILES | CCOC(=O)C=CCCCCCl |
| Synonyms | 7-Chloro-trans-2-hepenoic acid ethyl ester,
72448-93-2,
107408-35-5,
ZINC2559482,
MFCD05863885,
AKOS006344968,
7-Chloro-2-heptenoic acid ethyl ester,
7-chloro-hept-2-enoic acid ethyl ester,
AS-36940,
AB0075426,
AX8110531,
X-2914,
Ethyl 7-chlorohept-2-enoate,
(E)-ethyl 7-chlorohept-2-enoate,
ethyl (2E)-7-chlorohept-2-enoate,
7-Chloro-trans-2-hepenoicacidethylester,
CID11469562,
|
| Complexity | 144 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 190.076g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.667g/mol |
| Monoisotopic Mass | 190.076g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number