| CAS Number | 258831-64-0 |
| Catalog Number | AG00BIBK(AGN-PC-03Z3S7) |
| Chemical Name | 3-Bromo-4-(2-morpholinoethoxy)benzaldehyde |
| IUPAC Name | 3-bromo-4-(2-morpholin-4-ylethoxy)benzaldehyde |
| InChI | InChI=1S/C13H16BrNO3/c14-12-9-11(10-16)1-2-13(12)18-8-5-15-3-6-17-7-4-15/h1-2,9-10H,3-8H2 |
| InChI Key | ZCDQEMFDTZRRRD-UHFFFAOYSA-N |
| MDL Number | MFCD09719145 |
| Molecular Formula | C13H16BrNO3 |
| Molecular Weight | 314.1750 |
| SMILES | O=Cc1ccc(c(c1)Br)OCCN1CCOCC1 |
| Synonyms | 3-Bromo-4-(2-morpholinoethoxy)benzaldehyde,
258831-64-0,
ACMC-209gmz,
SCHEMBL5692404,
CTK8B1322,
DTXSID70630772,
ZCDQEMFDTZRRRD-UHFFFAOYSA-N,
ANW-25833,
MFCD09719145,
ZINC19850941,
4-morpholinoethoxy-3-bromobenzaldehyde,
SEL10763489,
AJ-75406,
CJ-16437,
AX8283951,
TC-114578,
V4730,
3-bromo-4-(2-morpholin-4-ylethoxy)benzaldehyde,
3-Bromo-4-[2-(morpholin-4-yl)ethoxy]benzaldehyde,
C13H16BrNO3,
B-8914,
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| Complexity | 259 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 313.031g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 314.179g/mol |
| Monoisotopic Mass | 313.031g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 38.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number