| CAS Number | 669739-11-1 |
| Catalog Number | AG005RWC(AGN-PC-0L0H5O) |
| Chemical Name | 5-Bromo-2-(3-methylbutoxy)benzaldehyde |
| IUPAC Name | 5-bromo-2-(3-methylbutoxy)benzaldehyde |
| InChI | InChI=1S/C12H15BrO2/c1-9(2)5-6-15-12-4-3-11(13)7-10(12)8-14/h3-4,7-9H,5-6H2,1-2H3 |
| InChI Key | NKBXANRVXQBCDL-UHFFFAOYSA-N |
| MDL Number | MFCD03422447 |
| Molecular Formula | C12H15BrO2 |
| Molecular Weight | 271.1503 |
| SMILES | C1(C=O)=CC(Br)=CC=C1OCCC(C)C |
| Synonyms | 5-bromo-2-(3-methylbutoxy)benzaldehyde,
669739-11-1,
5-Bromo-2-(isopentyloxy)benzaldehyde,
AC1MXIMM,
CTK5C5479,
DTXSID30396822,
ALBB-001271,
ZINC2558315,
7835AE,
BBL017334,
MFCD03422447,
STK443726,
AKOS000308797,
MCULE-7376120943,
AJ-40144,
TR-051576,
ST50847246,
Y-0532,
C12H15BrO2,
5-Bromo-2-iso-pentoxybenzaldehyde,
CID3816179,
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| Complexity | 194 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 270.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.154g/mol |
| Monoisotopic Mass | 270.026g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number