| CAS Number | 29959-92-0 |
| Catalog Number | AG00I5KP(AGN-PC-0061ON) |
| Chemical Name | Benzene, 1-bromo-3-(methylsulfinyl)- |
| IUPAC Name | 1-bromo-3-methylsulfinylbenzene |
| InChI | InChI=1S/C7H7BrOS/c1-10(9)7-4-2-3-6(8)5-7/h2-5H,1H3 |
| InChI Key | FAGYVSVOUYMGTM-UHFFFAOYSA-N |
| MDL Number | MFCD18785700 |
| Molecular Formula | C7H7BrOS |
| Molecular Weight | 219.0989 |
| SMILES | BrC1=CC(=CC=C1)S(=O)C |
| Synonyms | 3-Bromophenylmethylsulfoxide,
29959-92-0,
Benzene, 1-bromo-3-(methylsulfinyl)-,
SCHEMBL513923,
3-Bromophenyl methyl sulfoxide,
Methyl(3-bromophenyl) sulfoxide,
CTK0J0972,
DTXSID90591876,
1-bromo-3-methanesulfinyl-benzene,
FAGYVSVOUYMGTM-UHFFFAOYSA-N,
1-Bromo-3-(methanesulfinyl)benzene,
benzene,1-bromo-3-(methylsulfinyl)-,
1-BROMO-3-METHANESULFINYLBENZENE,
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| Complexity | 138 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.94g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 10 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.096g/mol |
| Monoisotopic Mass | 217.94g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number