| CAS Number | 1351382-01-8 |
| Catalog Number | AG00HTW6(AGN-PC-0WNREE) |
| Chemical Name | 1-Bromo-4-[(ethanesulfonyl)methyl]benzene |
| IUPAC Name | 1-bromo-4-(ethylsulfonylmethyl)benzene |
| InChI | InChI=1S/C9H11BrO2S/c1-2-13(11,12)7-8-3-5-9(10)6-4-8/h3-6H,2,7H2,1H3 |
| InChI Key | RIQHGRSZQWUIQB-UHFFFAOYSA-N |
| MDL Number | MFCD20492006 |
| Molecular Formula | C9H11BrO2S |
| Molecular Weight | 263.1514 |
| SMILES | CCS(=O)(=O)Cc1ccc(cc1)Br |
| Synonyms | 1-Bromo-4-[(ethanesulfonyl)methyl]benzene,
1351382-01-8,
SCHEMBL20155480,
ZINC72210041,
1-Bromo-4-ethanesulfonylmethyl-benzene,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 261.966g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 263.149g/mol |
| Monoisotopic Mass | 261.966g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
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