| CAS Number | 1261674-03-6 |
| Catalog Number | AG000RXD(AGN-PC-0WCC1J) |
| Chemical Name | 4-Chloro-1-nitro-2-(trifluoromethoxy)benzene |
| IUPAC Name | 4-chloro-1-nitro-2-(trifluoromethoxy)benzene |
| InChI | InChI=1S/C7H3ClF3NO3/c8-4-1-2-5(12(13)14)6(3-4)15-7(9,10)11/h1-3H |
| InChI Key | IGCJBPPURJRKDG-UHFFFAOYSA-N |
| MDL Number | MFCD18393863 |
| Molecular Formula | C7H3ClF3NO3 |
| Molecular Weight | 241.5518 |
| SMILES | [O-][N+](=O)C1=CC=C(Cl)C=C1OC(F)(F)F |
| Synonyms | 1261674-03-6,
4-CHLORO-2-TRIFLUOROMETHOXYNITROBENZENE,
4-chloro-1-nitro-2-(trifluoromethoxy)benzene,
CL8919,
MFCD18393863,
ZINC91692995,
AKOS016016313,
4-Chloro-2-(trifluoromethoxy)nitrobenzene,
AS-46138,
CS-0083361,
Benzene, 4-chloro-1-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 | 3.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P264-P270-P301+P312-P330
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UN Code
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Certificate of Analysis
Lot Number