| CAS Number | 1909326-34-6 |
| Catalog Number | AG01C1P7 |
| Chemical Name | [(4-amino-2-bromo-5-chlorophenyl)sulfanyl]formonitrile |
| IUPAC Name | (4-amino-2-bromo-5-chlorophenyl) thiocyanate |
| InChI | InChI=1S/C7H4BrClN2S/c8-4-1-6(11)5(9)2-7(4)12-3-10/h1-2H,11H2 |
| InChI Key | UYLLIOQJNIEGMV-UHFFFAOYSA-N |
| MDL Number | MFCD29047394 |
| Molecular Formula | C7H4BrClN2S |
| Molecular Weight | 263.5421 |
| SMILES | NC1=C(Cl)C=C(SC#N)C(Br)=C1 |
| Synonyms | [(4-amino-2-bromo-5-chlorophenyl)sulfanyl]formonitrile,
1909326-34-6,
ZINC299805561,
FCH5400063,
EN300-248199,
|
| Complexity | 205 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.897g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.537g/mol |
| Monoisotopic Mass | 261.897g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 75.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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