| CAS Number | 111818-33-8 |
| Catalog Number | AG009KA5(AGN-PC-02RDNL) |
| Chemical Name | 1-(Bromomethyl)-4-cyclohexylbenzene |
| IUPAC Name | 1-(bromomethyl)-4-cyclohexylbenzene |
| InChI | InChI=1S/C13H17Br/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h6-9,12H,1-5,10H2 |
| InChI Key | XVFZFBSJOOIKIK-UHFFFAOYSA-N |
| MDL Number | MFCD11111736 |
| Molecular Formula | C13H17Br |
| Molecular Weight | 253.1781 |
| SMILES | BrCC1=CC=C(C2CCCCC2)C=C1 |
| Synonyms | 1-(bromomethyl)-4-cyclohexylbenzene,
111818-33-8,
Benzene, 1-(bromomethyl)-4-cyclohexyl-,
SCHEMBL4163040,
XVFZFBSJOOIKIK-UHFFFAOYSA-N,
ZINC69803722,
AKOS013398286,
NE45270,
RP29023,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 252.051g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.183g/mol |
| Monoisotopic Mass | 252.051g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number