| CAS Number | 488799-67-3 |
| Catalog Number | AG00DIRN(AGN-PC-03NCGS) |
| Chemical Name | 4-Bromo-1-fluorophenyl-2-(morphlinomethyl)benzene |
| IUPAC Name | 4-[(5-bromo-2-fluorophenyl)methyl]morpholine |
| InChI | InChI=1S/C11H13BrFNO/c12-10-1-2-11(13)9(7-10)8-14-3-5-15-6-4-14/h1-2,7H,3-6,8H2 |
| InChI Key | LHWHXDWETOZZBT-UHFFFAOYSA-N |
| MDL Number | MFCD20441943 |
| Molecular Formula | C11H13BrFNO |
| Molecular Weight | 274.1294 |
| SMILES | c1(c(ccc(c1)Br)F)CN1CCOCC1 |
| Synonyms | 4-(5-Bromo-2-fluorobenzyl)morpholine,
488799-67-3,
4-Bromo-1-fluorophenyl-2-(morphlinomethyl)benzene,
MFCD20441943,
4-[(5-bromo-2-fluorophenyl)methyl]morpholine,
5-Bromo-2-fluoro-1-(morpholinylmethyl)benzene,
SCHEMBL1117900,
LHWHXDWETOZZBT-UHFFFAOYSA-N,
ZINC65208265,
AKOS017451949,
AM87002,
4-(5-Bromo-2-fluoro-benzyl)-morpholine,
AJ-114877,
ST24042982,
Q-8537,
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| Complexity | 199 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.016g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 274.133g/mol |
| Monoisotopic Mass | 273.016g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 12.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number