| CAS Number | 19433-09-1 |
| Catalog Number | AG00I320 |
| Chemical Name | 1-bromo-3-(cyclopropanesulfonyl)benzene |
| IUPAC Name | 1-bromo-3-cyclopropylsulfonylbenzene |
| InChI | InChI=1S/C9H9BrO2S/c10-7-2-1-3-9(6-7)13(11,12)8-4-5-8/h1-3,6,8H,4-5H2 |
| InChI Key | CWHGXRQPQNGBME-UHFFFAOYSA-N |
| MDL Number | MFCD21879801 |
| Molecular Formula | C9H9BrO2S |
| Molecular Weight | 261.1356 |
| SMILES | Brc1cccc(c1)S(=O)(=O)C1CC1 |
| Synonyms | 1-Bromo-3-(cyclopropylsulfonyl)benzene,
19433-09-1,
SCHEMBL3846739,
MFCD21879801,
ZINC71494880,
CS-W020464,
AS-48349,
1-BROMO-3-(CYCLOPROPANESULFONYL)BENZENE,
A1-06280,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.951g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.133g/mol |
| Monoisotopic Mass | 259.951g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
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Certificate of Analysis
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