| CAS Number | 1249489-87-9 |
| Catalog Number | AG009WKV(AGN-PC-0WD4OL) |
| Chemical Name | 3-Bromo-4-(3-methoxypropoxy)benzaldehyde |
| IUPAC Name | 3-bromo-4-(3-methoxypropoxy)benzaldehyde |
| InChI | InChI=1S/C11H13BrO3/c1-14-5-2-6-15-11-4-3-9(8-13)7-10(11)12/h3-4,7-8H,2,5-6H2,1H3 |
| InChI Key | XWNPKCOBVRUROB-UHFFFAOYSA-N |
| MDL Number | MFCD17270663 |
| Molecular Formula | C11H13BrO3 |
| Molecular Weight | 273.1231 |
| SMILES | COCCCOc1ccc(cc1Br)C=O |
| Synonyms | 3-Bromo-4-(3-methoxypropoxy)benzaldehyde,
1249489-87-9,
ACMC-209ate,
CTK8A9578,
DTXSID40734014,
ANW-18288,
MFCD17270663,
ZINC57614967,
CJ-20817,
AJ-113021,
AX8283946,
TC-107033,
Z8841,
B-8865,
C11H13BrO3,
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| Complexity | 187 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 272.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.126g/mol |
| Monoisotopic Mass | 272.005g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 35.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number