| CAS Number | 1094702-92-7 |
| Catalog Number | AG01AANI |
| Chemical Name | 1-(3-Bromopropoxy)-3-tert-butylbenzene |
| IUPAC Name | 1-(3-bromopropoxy)-3-tert-butylbenzene |
| InChI | InChI=1S/C13H19BrO/c1-13(2,3)11-6-4-7-12(10-11)15-9-5-8-14/h4,6-7,10H,5,8-9H2,1-3H3 |
| InChI Key | NUGGUJOPIXSFFI-UHFFFAOYSA-N |
| MDL Number | MFCD11647763 |
| Molecular Formula | C13H19BrO |
| Molecular Weight | 271.1934 |
| SMILES | CC(C1=CC(OCCCBr)=CC=C1)(C)C |
| Synonyms | 1-(3-bromopropoxy)-3-tert-butylbenzene,
1094702-92-7,
AC1Q1LWM,
ZINC36969965,
AKOS009371911,
NE29482,
EN300-69083,
|
| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.062g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.198g/mol |
| Monoisotopic Mass | 270.062g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number