| CAS Number | 1221793-70-9 |
| Catalog Number | AG0016VT(AGN-PC-0WNOGU) |
| Chemical Name | 2-(2,6-Dibromo-4-nitrophenoxy)acetonitrile |
| IUPAC Name | 2-(2,6-dibromo-4-nitrophenoxy)acetonitrile |
| InChI | InChI=1S/C8H4Br2N2O3/c9-6-3-5(12(13)14)4-7(10)8(6)15-2-1-11/h3-4H,2H2 |
| InChI Key | KNKHMLWAWGGBHX-UHFFFAOYSA-N |
| MDL Number | MFCD16036125 |
| Molecular Formula | C8H4Br2N2O3 |
| Molecular Weight | 335.9370 |
| SMILES | N#CCOc1c(Br)cc(cc1Br)[N+](=O)[O-] |
| Synonyms | 2-(2,6-DIBROMO-4-NITROPHENOXY)ACETONITRILE,
1221793-70-9,
ACMC-209ak7,
C8H4Br2N2O3,
CTK4B2993,
DTXSID10681384,
ANW-17957,
MFCD16036125,
ZINC50441358,
AKOS011379611,
(2,6-Dibromo-4-nitrophenoxy)acetonitrile,
TR-034926,
Z8603,
B-3386,
Acetonitrile, 2-(2,6-dibromo-4-nitrophenoxy)-,
I14-24698,
|
| Complexity | 273 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 335.857g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 335.939g/mol |
| Monoisotopic Mass | 333.859g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 78.8A^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