| CAS Number | 112556-13-5 |
| Catalog Number | AG007SZD(AGN-PC-0JTXJN) |
| Chemical Name | 1-Bromo-4-[chloro(difluoro)methoxy]benzene |
| IUPAC Name | 1-bromo-4-[chloro(difluoro)methoxy]benzene |
| InChI | InChI=1S/C7H4BrClF2O/c8-5-1-3-6(4-2-5)12-7(9,10)11/h1-4H |
| InChI Key | QBFJZAGJDZAVQT-UHFFFAOYSA-N |
| MDL Number | MFCD22580792 |
| Molecular Formula | C7H4BrClF2O |
| Molecular Weight | 257.4599 |
| SMILES | FC(OC1=CC=C(Br)C=C1)(Cl)F |
| Synonyms | 112556-13-5,
1-Bromo-4-[chloro(difluoro)methoxy]benzene,
Benzene, 1-bromo-4-(chlorodifluoromethoxy)-,
ACMC-20mgiy,
Benzene, 1-bromo-4-chlorodifluoromethoxy-,
AC1LDLZ9,
SCHEMBL9804700,
CTK0D1514,
DTXSID50347396,
QBFJZAGJDZAVQT-UHFFFAOYSA-N,
4-Bromo(difluorochloromethoxy)benzene,
BBL102114,
MFCD22580792,
STL555913,
ZINC32266366,
AKOS016016303,
1-Bromo-4-[chloro(difluoro)methoxy]benzene #,
CID621035,
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| Complexity | 148 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.459g/mol |
| Monoisotopic Mass | 255.91g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number