| CAS Number | 168475-83-0 |
| Catalog Number | AG019WUJ(AGN-PC-0WO9ZL) |
| Chemical Name | 4-bromo-N-[(oxolan-2-yl)methyl]aniline |
| IUPAC Name | 4-bromo-N-(oxolan-2-ylmethyl)aniline |
| InChI | InChI=1S/C11H14BrNO/c12-9-3-5-10(6-4-9)13-8-11-2-1-7-14-11/h3-6,11,13H,1-2,7-8H2 |
| InChI Key | XVAFMXUEHRLQRH-UHFFFAOYSA-N |
| MDL Number | MFCD11153110 |
| Molecular Formula | C11H14BrNO |
| Molecular Weight | 256.1390 |
| SMILES | BrC1=CC=C(NCC2OCCC2)C=C1 |
| Synonyms | 4-bromo-N-(oxolan-2-ylmethyl)aniline,
168475-83-0,
Z266466848,
AC1Q24Z0,
CTK5I7576,
AKOS000253997,
AKOS017280245,
MCULE-3925413712,
NE15008,
4-bromo-N-[(oxolan-2-yl)methyl]aniline,
EN300-53188,
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.026g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.143g/mol |
| Monoisotopic Mass | 255.026g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 21.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number