| CAS Number | 1280786-57-3 |
| Catalog Number | AG000XQR(AGN-PC-0WNMQ4) |
| Chemical Name | 1-Bromo-4-(Butylsulfinylmethyl)Benzene |
| IUPAC Name | 1-bromo-4-(butylsulfinylmethyl)benzene |
| InChI | InChI=1S/C11H15BrOS/c1-2-3-8-14(13)9-10-4-6-11(12)7-5-10/h4-7H,2-3,8-9H2,1H3 |
| InChI Key | JWNSEDQFGZSOBQ-UHFFFAOYSA-N |
| MDL Number | MFCD18434449 |
| Molecular Formula | C11H15BrOS |
| Molecular Weight | 275.2052 |
| SMILES | CCCCS(=O)Cc1ccc(cc1)Br |
| Synonyms | 1280786-57-3,
1-Bromo-4-(butylsulfinylmethyl)benzene,
1-Bromo-4-((butylsulfinyl)methyl)benzene,
ACMC-209bdi,
C11H15BrOS,
CTK8A9955,
DTXSID80682186,
ANW-19012,
MFCD18434449,
AKOS015888459,
AX8240323,
TC-107757,
Z9384,
Benzene, 1-bromo-4-[(butylsulfinyl)methyl]-,
A-3566,
1-BROMO-4-[(BUTANE-1-SULFINYL)METHYL]BENZENE,
I01-11104,
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| Complexity | 176 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 274.003g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 275.204g/mol |
| Monoisotopic Mass | 274.003g/mol |
| Rotatable Bond Count | 5 |
| 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