| CAS Number | 42185-54-6 |
| Catalog Number | AG00738K(AGN-PC-0NFZFB) |
| Chemical Name | 1-(2-Bromoethyl)cyclohex-1-ene |
| IUPAC Name | 1-(2-bromoethyl)cyclohexene |
| InChI | InChI=1S/C8H13Br/c9-7-6-8-4-2-1-3-5-8/h4H,1-3,5-7H2 |
| InChI Key | FCJPLQAAWZUXSC-UHFFFAOYSA-N |
| MDL Number | MFCD20621535 |
| Molecular Formula | C8H13Br |
| Molecular Weight | 189.0928 |
| SMILES | BrCCC1CCCCC=1 |
| Synonyms | 1-(2-Bromoethyl)cyclohex-1-ene,
42185-54-6,
Cyclohexene, 1-(2-bromoethyl)-,
1-(2-bromo-ethyl)-cyclohexene,
SCHEMBL11254535,
CTK1C8618,
DTXSID00455374,
1-(2-Bromoethyl)-1-cyclohexene,
ZINC136457210,
FT-0731823,
J3.534.082C,
1-(2-bromoethyl)cyclohexene,
CID11106122,
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| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.096g/mol |
| Monoisotopic Mass | 188.02g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
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