| CAS Number | 1989-50-0 |
| Catalog Number | AG002BSY(AGN-PC-0L93AZ) |
| Chemical Name | Bicyclo[2.2.2]octane-1-carboxylic acid, 4-bromo- |
| IUPAC Name | 4-bromobicyclo[2.2.2]octane-1-carboxylic acid |
| InChI | InChI=1S/C9H13BrO2/c10-9-4-1-8(2-5-9,3-6-9)7(11)12/h1-6H2,(H,11,12) |
| InChI Key | YGDOVZNMGWJAGR-UHFFFAOYSA-N |
| MDL Number | MFCD00967720 |
| Molecular Formula | C9H13BrO2 |
| Molecular Weight | 233.1023 |
| SMILES | O=C(C1(CC2)CCC2(Br)CC1)O |
| Synonyms | 4-bromobicyclo[2.2.2]octane-1-carboxylic Acid,
1989-50-0,
Bicyclo[2.2.2]octane-1-carboxylic acid, 4-bromo-,
AC1N8GF0,
SCHEMBL10163715,
CTK0E0537,
DTXSID60401872,
ZINC5282751,
MFCD00967720,
AKOS026676088,
AS-36612,
CS-0058477,
CID4318385,
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| Complexity | 200 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.105g/mol |
| Monoisotopic Mass | 232.01g/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 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number