| CAS Number | 1000576-29-3 |
| Catalog Number | AG00H955 |
| Chemical Name | 1-Bromo-2-fluoro-4-iodo-3-methylbenzene |
| IUPAC Name | 1-bromo-2-fluoro-4-iodo-3-methylbenzene |
| InChI | InChI=1S/C7H5BrFI/c1-4-6(10)3-2-5(8)7(4)9/h2-3H,1H3 |
| InChI Key | MLIFKSSUZINVQO-UHFFFAOYSA-N |
| MDL Number | MFCD09800764 |
| Molecular Formula | C7H5BrFI |
| Molecular Weight | 314.9215 |
| SMILES | BrC1=C(C(=C(C=C1)I)C)F |
| Synonyms | 3-Bromo-2-fluoro-6-iodotoluene,
1-bromo-2-fluoro-4-iodo-3-methylbenzene,
1000576-29-3,
SCHEMBL17028299,
MFCD09800764,
ZINC63339585,
A815944,
1-bromanyl-2-fluoranyl-4-iodanyl-3-methyl-benzene,
3-bromo-2,6-difluorotoluene,
2,4-difluoro-3-methylbromobenzene,
3-bromo-2-fluoro-6-fluorotoluene,
1-Bromo-2,4-difluoro-3-methylbenzene,
1-bromo-2,4-difluoro-3-methyl-benzene,
221220-97-9,
|
| Complexity | 120 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.86g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.924g/mol |
| Monoisotopic Mass | 313.86g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number