| CAS Number | 1226808-77-0 |
| Catalog Number | AG0017MW(AGN-PC-0WNMJ4) |
| Chemical Name | Benzene, 1-bromo-2-fluoro-4-iodo-5-nitro- |
| IUPAC Name | 1-bromo-2-fluoro-4-iodo-5-nitrobenzene |
| InChI | InChI=1S/C6H2BrFINO2/c7-3-1-6(10(11)12)5(9)2-4(3)8/h1-2H |
| InChI Key | BNZPOZOFBGRDLL-UHFFFAOYSA-N |
| MDL Number | MFCD16295088 |
| Molecular Formula | C6H2BrFINO2 |
| Molecular Weight | 345.8925 |
| SMILES | O=[N+](C1=C(I)C=C(F)C(Br)=C1)[O-] |
| Synonyms | 1-Bromo-2-fluoro-4-iodo-5-nitrobenzene,
1226808-77-0,
ACMC-209am6,
SCHEMBL18112921,
CTK4B3223,
DTXSID90681983,
ANW-18028,
MFCD16295088,
ZINC65337091,
AKOS015834922,
FCH1398361,
AJ-114997,
AX8231414,
TR-034974,
ST24021247,
Y3883,
Benzene, 1-bromo-2-fluoro-4-iodo-5-nitro-,
B-2372,
I01-10718,
C6H2BrFINO2,
|
| Complexity | 189 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 344.83g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 345.894g/mol |
| Monoisotopic Mass | 344.83g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
|
Hazard Class
|
6.1
|
|
Hazard statements
|
H301-H311-H331
|
|
Packing Group
|
Ⅲ
|
|
Precautionary statements
|
P261-P264-P270-P271-P280-P302+P352-P304+P340-P310-P330-P361-P403+P233-P405-P501
|
|
UN Code
|
UN 2811
|
Certificate of Analysis
Lot Number