| CAS Number | 1221272-83-8 |
| Catalog Number | AG01FOG0(AGN-PC-0WC5I5) |
| Chemical Name | 1,3-Dichloro-4-nitro-2-(trifluoromethyl)benzene |
| IUPAC Name | 1,3-dichloro-4-nitro-2-(trifluoromethyl)benzene |
| InChI | InChI=1S/C7H2Cl2F3NO2/c8-3-1-2-4(13(14)15)6(9)5(3)7(10,11)12/h1-2H |
| InChI Key | MOVCRAVDFSTLPY-UHFFFAOYSA-N |
| MDL Number | MFCD16140179 |
| Molecular Formula | C7H2Cl2F3NO2 |
| Molecular Weight | 259.9975 |
| SMILES | O=N(=O)c1ccc(c(c1Cl)C(F)(F)F)Cl |
| Synonyms | 1,3-dichloro-4-nitro-2-(trifluoromethyl)benzene,
2,6-dichloro-3-nitrobenzotrifluoride,
1221272-83-8,
ZINC66323199,
AKOS005258135,
Y-9564,
AJ-115941,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 258.941468g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.99g/mol |
| Monoisotopic Mass | 258.941468g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 45.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number