| CAS Number | 1160574-70-8 |
| Catalog Number | AG00HDOO(AGN-PC-0WOLIH) |
| Chemical Name | 1-Bromo-2-chloro-3,4-difluorobenzene |
| IUPAC Name | 1-bromo-2-chloro-3,4-difluorobenzene |
| InChI | InChI=1S/C6H2BrClF2/c7-3-1-2-4(9)6(10)5(3)8/h1-2H |
| InChI Key | GSTGHIPMRLSCQO-UHFFFAOYSA-N |
| MDL Number | MFCD11845914 |
| Molecular Formula | C6H2BrClF2 |
| Molecular Weight | 227.4339 |
| SMILES | C1=CC(=C(C(=C1Br)Cl)F)F |
| Synonyms | 1-Bromo-2-chloro-3,4-difluorobenzene,
1160574-70-8,
2-CHLORO-3,4-DIFLUOROBROMOBENZENE,
SCHEMBL9339526,
MFCD11845914,
ZINC65356415,
DB-020777,
1-bromanyl-2-chloranyl-3,4-bis(fluoranyl)benzene,
A832326,
59447-06-2,
|
| Complexity | 122 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.9g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 227.433g/mol |
| Monoisotopic Mass | 225.9g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number