| CAS Number | 732308-80-4 |
| Catalog Number | AG00FEM8(AGN-PC-015QKV) |
| Chemical Name | 1-(4-Bromophenyl)cyclohexanecarboxylic acid |
| IUPAC Name | 1-(4-bromophenyl)cyclohexane-1-carboxylic acid |
| InChI | InChI=1S/C13H15BrO2/c14-11-6-4-10(5-7-11)13(12(15)16)8-2-1-3-9-13/h4-7H,1-3,8-9H2,(H,15,16) |
| InChI Key | JJVXUXDLDJORKK-UHFFFAOYSA-N |
| MDL Number | MFCD08442706 |
| Molecular Formula | C13H15BrO2 |
| Molecular Weight | 283.1610 |
| SMILES | BrC1=CC=C(C=C1)C1(CCCCC1)C(=O)O |
| Synonyms | 1-(4-bromophenyl)cyclohexanecarboxylic acid,
732308-80-4,
EN300-31142,
1-(4-bromophenyl)cyclohexane-1-carboxylic acid,
AC1Q720E,
SCHEMBL2384832,
CTK7I5808,
DTXSID20588118,
JJVXUXDLDJORKK-UHFFFAOYSA-N,
MFCD08442706,
ZINC20281972,
AKOS000111644,
MCULE-7694694139,
NE62413,
NCGC00341355-01,
AS-42191,
DB-026975,
RT-006051,
1-(4-bromophenyl)-cyclohexanecarboxylic acid,
FT-0766641,
AB01332906-02,
|
| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 282.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.165g/mol |
| Monoisotopic Mass | 282.026g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 37.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number