| CAS Number | 114467-75-3 |
| Catalog Number | AG01BAJG(AGN-PC-0JU79W) |
| Chemical Name | 1-(Bromodifluoromethyl)-4-chlorobenzene |
| IUPAC Name | 1-[bromo(difluoro)methyl]-4-chlorobenzene |
| InChI | InChI=1S/C7H4BrClF2/c8-7(10,11)5-1-3-6(9)4-2-5/h1-4H |
| InChI Key | UUAHGNFKMHMRDY-UHFFFAOYSA-N |
| MDL Number | MFCD22988900 |
| Molecular Formula | C7H4BrClF2 |
| Molecular Weight | 241.4605 |
| SMILES | FC(C1=CC=C(Cl)C=C1)(Br)F |
| Synonyms | 4-(Bromodifluoromethyl)chlorobenzene,
114467-75-3,
1-(bromodifluoromethyl)-4-chlorobenzene,
1-[bromo(difluoro)methyl]-4-chlorobenzene,
AC1LD0Q8,
SCHEMBL12869567,
MFCD22988900,
AKOS033752162,
ZINC138147425,
SC-94486,
benzene, 1-(bromodifluoromethyl)-4-chloro-,
Z2050725160,
InChI=1/C7H4BrClF2/c8-7(10,11)5-1-3-6(9)4-2-5/h1-4,
CID640458,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.915g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.46g/mol |
| Monoisotopic Mass | 239.915g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number