| CAS Number | 157645-54-0 |
| Catalog Number | AG001PKY(AGN-PC-0WNOH9) |
| Chemical Name | 4-Bromo-2-nitro-1-thiocyanatobenzene |
| IUPAC Name | (4-bromo-2-nitrophenyl) thiocyanate |
| InChI | InChI=1S/C7H3BrN2O2S/c8-5-1-2-7(13-4-9)6(3-5)10(11)12/h1-3H |
| InChI Key | XGXZHZFRPAQKCH-UHFFFAOYSA-N |
| MDL Number | MFCD12546511 |
| Molecular Formula | C7H3BrN2O2S |
| Molecular Weight | 259.0799 |
| SMILES | [O-][N+](=O)C1=C(SC#N)C=CC(Br)=C1 |
| Synonyms | 4-BROMO-2-NITRO-1-THIOCYANATOBENZENE,
157645-54-0,
4-Bromo-2-nitrophenyl thiocyanate,
ACMC-209dgl,
4-bromo-2-nitrophenylthiocyanate,
CTK4C9425,
DTXSID50675186,
ANW-21715,
MFCD12546511,
ZINC38537724,
AKOS015835506,
PS-10562,
TR-035823,
V3551,
Thiocyanic acid, 4-bromo-2-nitrophenyl ester,
B-2581,
I01-10975,
C7H3BrN2O2S,
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| Complexity | 247 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.91g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 259.077g/mol |
| Monoisotopic Mass | 257.91g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 94.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number