| CAS Number | 55106-53-1 |
| Catalog Number | AG019YLM(AGN-PC-00MGXL) |
| Chemical Name | 1-bromocyclohexane-1-carboxylic acid |
| IUPAC Name | 1-bromocyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C7H11BrO2/c8-7(6(9)10)4-2-1-3-5-7/h1-5H2,(H,9,10) |
| InChI Key | KHFXNUAYBKPUKC-UHFFFAOYSA-N |
| MDL Number | MFCD00086837 |
| Molecular Formula | C7H11BrO2 |
| Molecular Weight | 207.0650 |
| SMILES | OC(C1(CCCCC1)Br)=O |
| Synonyms | 1-bromocyclohexanecarboxylic acid,
55106-53-1,
1-bromocyclohexane-1-carboxylic acid,
bromocyclohexane carboxylic,
SCHEMBL7828756,
KHFXNUAYBKPUKC-UHFFFAOYSA-N,
1-Bromo-1-cyclohexanecarboxylic acid,
Cyclohexanecarboxylic acid, 1-bromo-,
ZINC39643824,
1-bromo-cyclohexane-1-carboxylic acid,
AKOS015907375,
NE11216,
RP26293,
I14-20867,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 205.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 207.067g/mol |
| Monoisotopic Mass | 205.994g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number