| CAS Number | 113421-97-9 |
| Catalog Number | AG0008JM(AGN-PC-0JIM5W) |
| Chemical Name | 1-Chloro-4-nitro-2-(trifluoromethoxy)benzene |
| IUPAC Name | 1-chloro-4-nitro-2-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3ClF3NO3/c8-5-2-1-4(12(13)14)3-6(5)15-7(9,10)11/h1-3H |
| InChI Key | WVRGIODBGXCYRU-UHFFFAOYSA-N |
| MDL Number | MFCD18393864 |
| Molecular Formula | C7H3ClF3NO3 |
| Molecular Weight | 241.5518 |
| SMILES | [O-][N+](=O)C1=CC(OC(F)(F)F)=C(Cl)C=C1 |
| Synonyms | 113421-97-9,
1-Chloro-4-nitro-2-(trifluoromethoxy)benzene,
4-Chloro-3-(trifluoromethoxy)nitrobenzene,
MFCD18393864,
ZINC95215649,
AKOS016016184,
AK271465,
PC501403,
PS-10469,
AX8311503,
Benzene, 1-chloro-4-nitro-2-(trifluoromethoxy)-,
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| Complexity | 243 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 240.975g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.55g/mol |
| Monoisotopic Mass | 240.975g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 55A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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Certificate of Analysis
Lot Number