| CAS Number | 216658-62-7 |
| Catalog Number | AG01B1RW(AGN-PC-03IYKL) |
| Chemical Name | 1-(Bromomethyl)-3-ethylbenzene |
| IUPAC Name | 1-(bromomethyl)-3-ethylbenzene |
| InChI | InChI=1S/C9H11Br/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2,7H2,1H3 |
| InChI Key | HNUZAFPGSNEQDM-UHFFFAOYSA-N |
| MDL Number | MFCD09999853 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | CCC1=CC(CBr)=CC=C1 |
| Synonyms | 1-(BROMOMETHYL)-3-ETHYLBENZENE,
216658-62-7,
1-bromomethyl-3-ethylbenzene,
SCHEMBL1403956,
HNUZAFPGSNEQDM-UHFFFAOYSA-N,
Benzene, 1-(bromomethyl)-3-ethyl-,
ZINC88189770,
NE20670,
SC-22355,
3-ethyl-benzyl bromide,
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| Complexity | 90.7 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.004g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.091g/mol |
| Monoisotopic Mass | 198.004g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number