| CAS Number | 1179608-64-0 |
| Catalog Number | AG01A51U |
| Chemical Name | [(5-bromo-2-fluorophenyl)methyl](2,2-dimethoxyethyl)amine |
| IUPAC Name | N-[(5-bromo-2-fluorophenyl)methyl]-2,2-dimethoxyethanamine |
| InChI | InChI=1S/C11H15BrFNO2/c1-15-11(16-2)7-14-6-8-5-9(12)3-4-10(8)13/h3-5,11,14H,6-7H2,1-2H3 |
| InChI Key | LXUDGWTUTDNEDQ-UHFFFAOYSA-N |
| MDL Number | MFCD12148400 |
| Molecular Formula | C11H15BrFNO2 |
| Molecular Weight | 292.1447 |
| SMILES | COC(OC)CNCC1=C(F)C=CC(Br)=C1 |
| Synonyms | [(5-bromo-2-fluorophenyl)methyl](2,2-dimethoxyethyl)amine,
1179608-64-0,
ZINC37388329,
AKOS008988935,
NE54553,
|
| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 291.027g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.148g/mol |
| Monoisotopic Mass | 291.027g/mol |
| Rotatable Bond Count | 6 |
| Topological Polar Surface Area | 30.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
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Certificate of Analysis
Lot Number