| CAS Number | 471246-90-9 |
| Catalog Number | AG00DIIO |
| Chemical Name | 4-(2-BROMO-1,1-DIFLUOROETHYL)BROMOBENZENE |
| IUPAC Name | 1-bromo-4-(2-bromo-1,1-difluoroethyl)benzene |
| InChI | InChI=1S/C8H6Br2F2/c9-5-8(11,12)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChI Key | FTZXJTCNRQOEEE-UHFFFAOYSA-N |
| MDL Number | MFCD07777120 |
| Molecular Formula | C8H6Br2F2 |
| Molecular Weight | 299.9380 |
| SMILES | BrC1=CC=C(C=C1)C(CBr)(F)F |
| Synonyms | 471246-90-9,
4-(2-Bromo-1,1-difluoroethyl)bromobenzene,
1-bromo-4-(2-bromo-1,1-difluoroethyl)benzene,
SCHEMBL19510596,
CTK4I9741,
DTXSID70660150,
ZX-AP005313,
MFCD07777120,
PC2361,
ZINC66312931,
AKOS027384273,
FCH1385414,
ACM471246909,
4-(2-Bromo-1,1-difluoroethyl)bromobenzene 98%,
A827153,
1-bromanyl-4-[2-bromanyl-1,1-bis(fluoranyl)ethyl]benzene,
4- BROMOBENZENE,
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| Complexity | 142 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.878g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 299.941g/mol |
| Monoisotopic Mass | 297.88g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 0A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number