| CAS Number | 1096679-03-6 |
| Catalog Number | AG00942E |
| Chemical Name | 2-Bromo-4-t-butyl-1-ethoxybenzene |
| IUPAC Name | 2-bromo-4-tert-butyl-1-ethoxybenzene |
| InChI | InChI=1S/C12H17BrO/c1-5-14-11-7-6-9(8-10(11)13)12(2,3)4/h6-8H,5H2,1-4H3 |
| InChI Key | TZCVYPLADDVMNO-UHFFFAOYSA-N |
| MDL Number | MFCD21333103 |
| Molecular Formula | C12H17BrO |
| Molecular Weight | 257.1668 |
| SMILES | CCOC1=C(Br)C=C(C=C1)C(C)(C)C |
| Synonyms | 1096679-03-6,
2-Bromo-4-(tert-butyl)-1-ethoxybenzene,
2-Bromo-4-t-butyl-1-ethoxybenzene,
ACMC-20993z,
SCHEMBL3920762,
CTK8A9214,
DTXSID00727861,
ANW-16077,
MFCD21333103,
ZINC82046481,
2-Bromo-4-tert-butyl-1-ethoxybenzene,
AKOS016001281,
FCH1609384,
AJ-124176,
AX8240319,
TC-104822,
Z7284,
C12H17BrO,
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| Complexity | 174 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.046g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.171g/mol |
| Monoisotopic Mass | 256.046g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 9.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number