| CAS Number | 1178144-87-0 |
| Catalog Number | AG00HE99(AGN-PC-0WNMU8) |
| Chemical Name | 4-Bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide |
| IUPAC Name | 4-bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide |
| InChI | InChI=1S/C11H14BrNO2S/c1-13(8-9-2-3-9)16(14,15)11-6-4-10(12)5-7-11/h4-7,9H,2-3,8H2,1H3 |
| InChI Key | REZMPQYQNXCGQA-UHFFFAOYSA-N |
| MDL Number | MFCD12815737 |
| Molecular Formula | C11H14BrNO2S |
| Molecular Weight | 304.2034 |
| SMILES | CN(S(=O)(=O)c1ccc(cc1)Br)CC1CC1 |
| Synonyms | 4-Bromo-N-(cyclopropylmethyl)-N-methylbenzenesulfonamide,
1178144-87-0,
ZINC37926288,
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| Complexity | 326 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 302.993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 304.202g/mol |
| Monoisotopic Mass | 302.993g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 45.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
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