| CAS Number | 828298-75-5 |
| Catalog Number | AG00JF1X(AGN-PC-0WBAYW) |
| Chemical Name | 3-bromo-5-methoxy-4-(2-methylpropoxy)benzaldehyde |
| IUPAC Name | 3-bromo-5-methoxy-4-(2-methylpropoxy)benzaldehyde |
| InChI | InChI=1S/C12H15BrO3/c1-8(2)7-16-12-10(13)4-9(6-14)5-11(12)15-3/h4-6,8H,7H2,1-3H3 |
| InChI Key | YWPWPNLQVJBLEZ-UHFFFAOYSA-N |
| MDL Number | MFCD04133019 |
| Molecular Formula | C12H15BrO3 |
| Molecular Weight | 287.1497 |
| SMILES | COC1=C(OCC(C)C)C(Br)=CC(C=O)=C1 |
| Synonyms | 3-BROMO-4-ISOBUTOXY-5-METHOXYBENZALDEHYDE,
3-bromo-5-methoxy-4-(2-methylpropoxy)benzaldehyde,
828298-75-5,
CTK7H8541,
BBC/756,
ZINC2798776,
ZX-AS004956,
MFCD04133019,
SBB023544,
STK350632,
AKOS000313264,
MCULE-9983083548,
ST45082256,
EN300-230559,
|
| Complexity | 220 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 286.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 287.153g/mol |
| Monoisotopic Mass | 286.02g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number