| CAS Number | 102405-32-3 |
| Catalog Number | AG01B2FD(AGN-PC-000EEY) |
| Chemical Name | 1-(Bromomethyl)-3-tert-butylbenzene |
| IUPAC Name | 1-(bromomethyl)-3-tert-butylbenzene |
| InChI | InChI=1S/C11H15Br/c1-11(2,3)10-6-4-5-9(7-10)8-12/h4-7H,8H2,1-3H3 |
| InChI Key | PJQAWFRZGVFIOK-UHFFFAOYSA-N |
| MDL Number | MFCD15527517 |
| Molecular Formula | C11H15Br |
| Molecular Weight | 227.1408 |
| SMILES | CC(C1=CC(CBr)=CC=C1)(C)C |
| Synonyms | 1-(bromomethyl)-3-tert-butylbenzene,
102405-32-3,
3-t-butylbenzyl bromide,
3-tert-butylbenzyl bromide,
Benzene, 1-(bromomethyl)-3-(1,1-dimethylethyl)-,
SCHEMBL506396,
1-bromomethyl-3-tert-butylbenzene,
PJQAWFRZGVFIOK-UHFFFAOYSA-N,
1-Bromomethyl-3-tert-butyl-benzene,
ZINC113984337,
1-(Bromomethyl)-3-(tert-butyl)benzene,
SC-38078,
1-TERT-BUTYL-3-(BROMOMETHYL)BENZENE,
FT-0759698,
|
| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.145g/mol |
| Monoisotopic Mass | 226.036g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number