| CAS Number | 1174005-83-4 |
| Catalog Number | AG00941V(AGN-PC-0WA69K) |
| Chemical Name | 2-Bromo-5-nitro-4-trifluoromethoxyaniline |
| IUPAC Name | 2-bromo-5-nitro-4-(trifluoromethoxy)aniline |
| InChI | InChI=1S/C7H4BrF3N2O3/c8-3-1-6(16-7(9,10)11)5(13(14)15)2-4(3)12/h1-2H,12H2 |
| InChI Key | YZMYNIDWJGKAQL-UHFFFAOYSA-N |
| MDL Number | MFCD18783114 |
| Molecular Formula | C7H4BrF3N2O3 |
| Molecular Weight | 301.0175 |
| SMILES | [O-][N+](=O)c1cc(N)c(cc1OC(F)(F)F)Br |
| Synonyms | 2-BROMO-5-NITRO-4-TRIFLUOROMETHOXYANILINE,
1174005-83-4,
ACMC-2099u7,
CTK8A9325,
DTXSID80681513,
ANW-17021,
MFCD18783114,
ZINC44564109,
AKOS015908163,
TC-105766,
2-bromo-5-nitro-4-(trifluoromethoxy)aniline,
Z7828,
A-3242,
I14-24687,
C7H4BrF3N2O3,
|
| Complexity | 271 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 299.936g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.019g/mol |
| Monoisotopic Mass | 299.936g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number