| CAS Number | 938370-87-7 |
| Catalog Number | AG00601H(AGN-PC-0WA87I) |
| Chemical Name | 3-Bromo-4-[2-(piperidino)ethoxy]benzaldehyde |
| IUPAC Name | 3-bromo-4-(2-piperidin-1-ylethoxy)benzaldehyde |
| InChI | InChI=1S/C14H18BrNO2/c15-13-10-12(11-17)4-5-14(13)18-9-8-16-6-2-1-3-7-16/h4-5,10-11H,1-3,6-9H2 |
| InChI Key | LYMCTSKYDFSRQS-UHFFFAOYSA-N |
| MDL Number | MFCD09712503 |
| Molecular Formula | C14H18BrNO2 |
| Molecular Weight | 312.2022 |
| SMILES | O=Cc1ccc(c(c1)Br)OCCN1CCCCC1 |
| Synonyms | 938370-87-7,
3-Bromo-4-(2-(piperidin-1-yl)ethoxy)benzaldehyde,
3-Bromo-4-[2-(piperidino)ethoxy]benzaldehyde,
3-Bromo-4-[2-(piperidin-1-yl)ethoxy]benzaldehyde,
ACMC-209rnt,
CTK8B2722,
DTXSID60610184,
ANW-40119,
MFCD09712503,
ZINC11888432,
ABA-5916534,
AJ-60345,
AX8283953,
TC-128864,
V9326,
B-8866,
C14H18BrNO2,
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| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 311.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 312.207g/mol |
| Monoisotopic Mass | 311.052g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number