| CAS Number | 75366-14-2 |
| Catalog Number | AG01ANAQ(AGN-PC-002H6L) |
| Chemical Name | 2-Bromo-1-(bromomethyl)-4-methylbenzene |
| IUPAC Name | 2-bromo-1-(bromomethyl)-4-methylbenzene |
| InChI | InChI=1S/C8H8Br2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,5H2,1H3 |
| InChI Key | KYIWEVXOEHKTRT-UHFFFAOYSA-N |
| MDL Number | MFCD00798581 |
| Molecular Formula | C8H8Br2 |
| Molecular Weight | 263.9571 |
| SMILES | CC1=CC(Br)=C(CBr)C=C1 |
| Synonyms | 2-BROMO-1-(BROMOMETHYL)-4-METHYLBENZENE,
75366-14-2,
2-Bromo-4-methylbenzyl bromide,
SCHEMBL3772270,
MFCD00798581,
ZINC88190105,
AKOS017548021,
DA-19358,
SC-36850,
2-Bromo-1-(bromomethyl)-4- methylbenzene,
FT-0706141,
Benzene, 2-bromo-1-(bromomethyl)-4-methyl-,
I01-23049,
|
| 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 |
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Certificate of Analysis
Lot Number