| CAS Number | 938310-95-3 |
| Catalog Number | AG006D0I(AGN-PC-0WA86O) |
| Chemical Name | 3-Bromo-4-(2-pyrrolidinoethoxy)benzaldehyde |
| IUPAC Name | 3-bromo-4-(2-pyrrolidin-1-ylethoxy)benzaldehyde |
| InChI | InChI=1S/C13H16BrNO2/c14-12-9-11(10-16)3-4-13(12)17-8-7-15-5-1-2-6-15/h3-4,9-10H,1-2,5-8H2 |
| InChI Key | XCDYQVGYDMQRNN-UHFFFAOYSA-N |
| MDL Number | MFCD09710954 |
| Molecular Formula | C13H16BrNO2 |
| Molecular Weight | 298.1756 |
| SMILES | O=Cc1ccc(c(c1)Br)OCCN1CCCC1 |
| Synonyms | 938310-95-3,
3-Bromo-4-(2-pyrrolidinoethoxy)benzaldehyde,
3-Bromo-4-(2-(pyrrolidin-1-yl)ethoxy)benzaldehyde,
3-Bromo-4-[2-(pyrrolidin-1-yl)ethoxy]benzaldehyde,
ACMC-209rnr,
CTK8B2721,
DTXSID20610180,
ANW-40117,
MFCD09710954,
ZINC11864052,
AJ-60293,
AX8283955,
BC4203178,
TC-128862,
V9324,
B-9095,
C13H16BrNO2,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 297.036g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 298.18g/mol |
| Monoisotopic Mass | 297.036g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number