| CAS Number | 57825-29-3 |
| Catalog Number | AG01AUZP(AGN-PC-0NI6B5) |
| Chemical Name | 1-(Bromomethyl)-2-ethylbenzene |
| IUPAC Name | 1-(bromomethyl)-2-ethylbenzene |
| InChI | InChI=1S/C9H11Br/c1-2-8-5-3-4-6-9(8)7-10/h3-6H,2,7H2,1H3 |
| InChI Key | MLOYGHJCLXLZTL-UHFFFAOYSA-N |
| MDL Number | MFCD12024947 |
| Molecular Formula | C9H11Br |
| Molecular Weight | 199.0876 |
| SMILES | CCC1=C(CBr)C=CC=C1 |
| Synonyms | 1-(BROMOMETHYL)-2-ETHYLBENZENE,
57825-29-3,
Benzene, 1-(bromomethyl)-2-ethyl-,
2-ethylbenzyl bromide,
a-Bromo-2-ethyltoluene,
(bromomethyl)ethylbenzene,
SCHEMBL693127,
1-bromomethyl-2-ethyl-benzene,
CTK1F1159,
DTXSID50481562,
MLOYGHJCLXLZTL-UHFFFAOYSA-N,
ZINC52204636,
AKOS011703174,
NE18726,
FT-0754189,
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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