| CAS Number | 68965-62-8 |
| Catalog Number | AG006EYE(AGN-PC-00GJEK) |
| Chemical Name | 2-Bromo-1-cyclohexene-1-carboxylic acid |
| IUPAC Name | 2-bromocyclohexene-1-carboxylic acid |
| InChI | InChI=1S/C7H9BrO2/c8-6-4-2-1-3-5(6)7(9)10/h1-4H2,(H,9,10) |
| InChI Key | ZLXLAGQLWBJSSF-UHFFFAOYSA-N |
| MDL Number | MFCD24479649 |
| Molecular Formula | C7H9BrO2 |
| Molecular Weight | 205.0492 |
| SMILES | C(=O)(O)C1=C(Br)CCCC1 |
| Synonyms | 68965-62-8,
1-Cyclohexene-1-carboxylic acid, 2-bromo-,
2-Bromocyclohex-1-enecarboxylic acid,
SCHEMBL7363516,
CTK1J1613,
DTXSID30473122,
2-Bromo-1-cyclohexene-1-carboxylic acid,
2-bromocyclohexene-1-carboxylic Acid,
CID11805840,
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| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 203.979g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 205.051g/mol |
| Monoisotopic Mass | 203.979g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
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