| CAS Number | 1040075-19-1 |
| Catalog Number | AG007WT3(AGN-PC-0WNMFR) |
| Chemical Name | 2-Bromo-1-((4-chlorobenzyl)oxy)-4-fluorobenzene |
| IUPAC Name | 2-bromo-1-[(4-chlorophenyl)methoxy]-4-fluorobenzene |
| InChI | InChI=1S/C13H9BrClFO/c14-12-7-11(16)5-6-13(12)17-8-9-1-3-10(15)4-2-9/h1-7H,8H2 |
| InChI Key | DWYVOFPZBVYQJJ-UHFFFAOYSA-N |
| MDL Number | MFCD11125986 |
| Molecular Formula | C13H9BrClFO |
| Molecular Weight | 315.5654 |
| SMILES | c1c(cc(c(c1)OCc1ccc(cc1)Cl)Br)F |
| Synonyms | 1040075-19-1,
2-Bromo-1-((4-chlorobenzyl)oxy)-4-fluorobenzene,
2-Bromo-1-(4-chlorobenzyloxy)-4-fluorobenzene,
C13H9BrClFO,
ACMC-2098ac,
CTK8A9079,
DTXSID60652706,
ANW-15010,
MFCD11125986,
ZINC22150409,
AKOS008912405,
AJ-81169,
AX8231002,
BC4112914,
TC-103755,
ST24022020,
Z6715,
A-2903,
2-bromo-1-[(4-chlorophenyl)methoxy]-4-fluorobenzene,
I01-10832,
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| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 315.566g/mol |
| Monoisotopic Mass | 313.951g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.8 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number