| CAS Number | 1440535-12-5 |
| Catalog Number | AG00HX10(AGN-PC-0WQX3E) |
| Chemical Name | 1-Bromo-3-fluoro-4-nitro-2-(trifluoromethyl)benzene |
| IUPAC Name | 1-bromo-3-fluoro-4-nitro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2BrF4NO2/c8-3-1-2-4(13(14)15)6(9)5(3)7(10,11)12/h1-2H |
| InChI Key | BLZIPKYFWXKJNI-UHFFFAOYSA-N |
| MDL Number | MFCD24850045 |
| Molecular Formula | C7H2BrF4NO2 |
| Molecular Weight | 287.9939 |
| SMILES | [O-][N+](=O)C1=C(F)C(=C(Br)C=C1)C(F)(F)F |
| Synonyms | 1440535-12-5,
6-Bromo-2-fluoro-3-nitrobenzotrifluoride,
1-bromo-3-fluoro-4-nitro-2-(trifluoromethyl)benzene,
SCHEMBL5547507,
ZX-AP003261,
MFCD24850045,
ZINC94986223,
PC49601,
PS-10477,
6-Bromo-2-fluoro-3-nitrobenzotrifluoride 97%,
|
| Complexity | 254 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.921g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.996g/mol |
| Monoisotopic Mass | 286.921g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number