| CAS Number | 1935164-83-2 |
| Catalog Number | AG00I2Z2(AGN-PC-0WR3KZ) |
| Chemical Name | 1-Bromo-4-(ethylsulfonimidoyl)benzene |
| IUPAC Name | (4-bromophenyl)-ethyl-imino-oxo-λ6-sulfane |
| InChI | InChI=1S/C8H10BrNOS/c1-2-12(10,11)8-5-3-7(9)4-6-8/h3-6,10H,2H2,1H3 |
| InChI Key | YZMQJOMQKHVCPJ-UHFFFAOYSA-N |
| MDL Number | MFCD28991860 |
| Molecular Formula | C8H10BrNOS |
| Molecular Weight | 248.1401 |
| SMILES | BrC1=CC=C(C=C1)S(=O)(=N)CC |
| Synonyms | 1-Bromo-4-(ethylsulfonimidoyl)benzene,
1935164-83-2,
SCHEMBL20590400,
AKOS027337329,
AS-54909,
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| Complexity | 239 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.967g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 248.138g/mol |
| Monoisotopic Mass | 246.967g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number