| CAS Number | 27561-50-8 |
| Catalog Number | AG002U34(AGN-PC-09RO6W) |
| Chemical Name | Benzene, 1-bromo-2-(bromomethyl)-4-methyl- |
| IUPAC Name | 1-bromo-2-(bromomethyl)-4-methylbenzene |
| InChI | InChI=1S/C8H8Br2/c1-6-2-3-8(10)7(4-6)5-9/h2-4H,5H2,1H3 |
| InChI Key | TYXBGGJWMHKOGK-UHFFFAOYSA-N |
| MDL Number | MFCD11847171 |
| Molecular Formula | C8H8Br2 |
| Molecular Weight | 263.9571 |
| SMILES | CC1=CC=C(Br)C(CBr)=C1 |
| Synonyms | 1-BROMO-2-(BROMOMETHYL)-4-METHYLBENZENE,
27561-50-8,
Benzene, 1-bromo-2-(bromomethyl)-4-methyl-,
SCHEMBL2291344,
2-Bromo-5-methylbenzyl bromide,
CTK0I5560,
DTXSID80695155,
TYXBGGJWMHKOGK-UHFFFAOYSA-N,
ZINC84199223,
AKOS016013924,
SC-32134,
AJ-126160,
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| Complexity | 103 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.96g/mol |
| Monoisotopic Mass | 261.899g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number