| CAS Number | 50670-57-0 |
| Catalog Number | AG003KYO(AGN-PC-02N6YL) |
| Chemical Name | 4-BROMO-4-BROMOMETHYL-BIPHENYL |
| IUPAC Name | 1-bromo-4-[4-(bromomethyl)phenyl]benzene |
| InChI | InChI=1S/C13H10Br2/c14-9-10-1-3-11(4-2-10)12-5-7-13(15)8-6-12/h1-8H,9H2 |
| InChI Key | AJHADXHEAFCOTE-UHFFFAOYSA-N |
| MDL Number | MFCD15523810 |
| Molecular Formula | C13H10Br2 |
| Molecular Weight | 326.0265 |
| SMILES | BrCC1=CC=C(C2=CC=C(Br)C=C2)C=C1 |
| Synonyms | 50670-57-0,
4'-BROMO-4-BROMOMETHYL-BIPHENYL,
4-Bromo-4'-(bromomethyl)-1,1'-biphenyl,
4-BROMO-4-BROMOMETHYL-BIPHENYL,
1,1'-Biphenyl, 4-bromo-4'-(bromomethyl)-,
4'-bromo-4-bromomethylbiphenyl,
SCHEMBL3362246,
CTK1G6274,
DTXSID30602879,
AJHADXHEAFCOTE-UHFFFAOYSA-N,
MFCD15523810,
ZINC59160404,
AKOS024257895,
KS-0000005E,
CJ-20837,
1,1'-Biphenyl,4-bromo-4'-(bromomethyl)-,
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| Complexity | 177 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.913g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 0 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.031g/mol |
| Monoisotopic Mass | 323.915g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 5.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number