| CAS Number | 52076-43-4 |
| Catalog Number | AG01BGHG(AGN-PC-03BYRO) |
| Chemical Name | 2-Bromo-1,4-diethylbenzene |
| IUPAC Name | 2-bromo-1,4-diethylbenzene |
| InChI | InChI=1S/C10H13Br/c1-3-8-5-6-9(4-2)10(11)7-8/h5-7H,3-4H2,1-2H3 |
| InChI Key | JOHFMRVNALTVEF-UHFFFAOYSA-N |
| MDL Number | MFCD18394811 |
| Molecular Formula | C10H13Br |
| Molecular Weight | 213.1142 |
| SMILES | c1c(cc(c(c1)CC)Br)CC |
| Synonyms | 2-bromo-1,4-diethylbenzene,
52076-43-4,
2,5-DIETHYLBROMOBENZENE,
SCHEMBL12658938,
CTK1G3461,
DTXSID50614813,
Benzene, 2-bromo-1,4-diethyl-,
ZINC70006796,
AKOS013486366,
Z1939437588,
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| Complexity | 111 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.118g/mol |
| Monoisotopic Mass | 212.02g/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
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Certificate of Analysis
Lot Number