| CAS Number | 403793-28-2 |
| Catalog Number | AG00CLSX(AGN-PC-03D7BN) |
| Chemical Name | 1-Bromo-4-(butane-1-sulfonyl)benzene |
| IUPAC Name | 1-bromo-4-butylsulfonylbenzene |
| InChI | InChI=1S/C10H13BrO2S/c1-2-3-8-14(12,13)10-6-4-9(11)5-7-10/h4-7H,2-3,8H2,1H3 |
| InChI Key | JFOOLODLNJPCDW-UHFFFAOYSA-N |
| MDL Number | MFCD01124707 |
| Molecular Formula | C10H13BrO2S |
| Molecular Weight | 277.1780 |
| SMILES | BrC1C=CC(=CC=1)S(CCCC)(=O)=O |
| Synonyms | 1-Bromo-4-(butylsulfonyl)benzene,
403793-28-2,
1-Bromo-4-(butane-1-sulfonyl)benzene,
ACMC-209jdr,
SCHEMBL5104880,
CTK8B1633,
DTXSID30616335,
ZINC5420793,
ANW-29389,
MFCD01124707,
AKOS015888460,
AJ-54007,
TC-118134,
ST24021261,
V5779,
K-8626,
I01-11087,
C10H13BrO2S,
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| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 275.982g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.176g/mol |
| Monoisotopic Mass | 275.982g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 42.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number