| CAS Number | 30038-94-9 |
| Catalog Number | AG00BJ4Y(AGN-PC-00OTQU) |
| Chemical Name | ETHYL 1-BROMOCYCLOPENTANECARBOXYLATE |
| IUPAC Name | ethyl 1-bromocyclopentane-1-carboxylate |
| InChI | InChI=1S/C8H13BrO2/c1-2-11-7(10)8(9)5-3-4-6-8/h2-6H2,1H3 |
| InChI Key | HKNNXQUAMZHIER-UHFFFAOYSA-N |
| MDL Number | MFCD06656664 |
| Molecular Formula | C8H13BrO2 |
| Molecular Weight | 221.0916 |
| SMILES | CCOC(C1(CCCC1)Br)=O |
| Synonyms | Ethyl 1-bromocyclopentanecarboxylate,
30038-94-9,
ethyl 1-bromocyclopentane-1-carboxylate,
Cyclopentanecarboxylic acid, 1-bromo-, ethyl ester,
1-BROMO-CYCLOPENTANECARBOXYLIC ACID ETHYL ESTER,
SCHEMBL1604412,
CTK1C0681,
DTXSID50571139,
HKNNXQUAMZHIER-UHFFFAOYSA-N,
1-Bromo-1-ethoxycarbonylcyclopentane,
MFCD06656664,
ZINC34527797,
AKOS027325725,
SC-65167,
1-bromo-1-cyclopentanecarboxylic acid ethyl ester,
|
| Complexity | 150 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 220.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 221.094g/mol |
| Monoisotopic Mass | 220.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number