| CAS Number | 1215077-69-2 |
| Catalog Number | AG001540(AGN-PC-0WQWSI) |
| Chemical Name | 1-Bromo-3-(butane-1-sulfinyl)benzene |
| IUPAC Name | 1-bromo-3-butylsulfinylbenzene |
| InChI | InChI=1S/C10H13BrOS/c1-2-3-7-13(12)10-6-4-5-9(11)8-10/h4-6,8H,2-3,7H2,1H3 |
| InChI Key | SCAHJFSTKOMTSN-UHFFFAOYSA-N |
| MDL Number | MFCD20441854 |
| Molecular Formula | C10H13BrOS |
| Molecular Weight | 261.1786 |
| SMILES | O=S(C1=CC(Br)=CC=C1)CCCC |
| Synonyms | 1-Bromo-3-(butane-1-sulfinyl)benzene,
1215077-69-2,
ACMC-209abh,
C10H13BrOS,
SCHEMBL13400303,
CTK8A9475,
DTXSID90616336,
ANW-17643,
MFCD20441854,
Benzene, 1-bromo-3-(butylsulfinyl)-,
TC-106388,
Z8347,
K-1600,
1-bromo-3-butylsulfinylbenzene,
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| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.177g/mol |
| Monoisotopic Mass | 259.987g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number