| CAS Number | 1129287-54-2 |
| Catalog Number | AG0095M0 |
| Chemical Name | 1-Bromo-4-(isopropylsulfinyl)benzene |
| IUPAC Name | 1-bromo-4-propan-2-ylsulfinylbenzene |
| InChI | InChI=1S/C9H11BrOS/c1-7(2)12(11)9-5-3-8(10)4-6-9/h3-7H,1-2H3 |
| InChI Key | KNOPNGNHCUFBRQ-UHFFFAOYSA-N |
| MDL Number | MFCD23135243 |
| Molecular Formula | C9H11BrOS |
| Molecular Weight | 247.1520 |
| SMILES | BrC1=CC=C(C=C1)S(=O)C(C)C |
| Synonyms | 1-Bromo-4-(isopropylsulfinyl)benzene,
1129287-54-2,
363136-59-8,
1352318-46-7,
ACMC-209bz8,
SCHEMBL16099522,
CTK8B0314,
KNOPNGNHCUFBRQ-UHFFFAOYSA-N,
Isopropyl(4-bromophenyl) sulfoxide,
ANW-19794,
AKOS016001048,
FCH2316172,
AK-95081,
AS-49980,
AX8239815,
TC-108539,
AK00739567,
Z9880,
C9H11BrOS,
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| Complexity | 162 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.15g/mol |
| Monoisotopic Mass | 245.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 36.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number