| CAS Number | 946786-47-6 |
| Catalog Number | AG01A59Z(AGN-PC-0WBVY7) |
| Chemical Name | 5-Bromo-2-(2-ethoxyethoxy)aniline |
| IUPAC Name | 5-bromo-2-(2-ethoxyethoxy)aniline |
| InChI | InChI=1S/C10H14BrNO2/c1-2-13-5-6-14-10-4-3-8(11)7-9(10)12/h3-4,7H,2,5-6,12H2,1H3 |
| InChI Key | IUNLIXWIKYDKRR-UHFFFAOYSA-N |
| MDL Number | MFCD08686989 |
| Molecular Formula | C10H14BrNO2 |
| Molecular Weight | 260.1277 |
| SMILES | CCOCCOC1=C(N)C=C(Br)C=C1 |
| Synonyms | 5-BROMO-2-(2-ETHOXYETHOXY)ANILINE,
946786-47-6,
CTK6G3929,
ZINC14630912,
AKOS000215504,
MCULE-5702321276,
NE39275,
TR-047032,
Z1623864155,
N/A,
|
| Complexity | 157 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 259.02079g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 260.13g/mol |
| Monoisotopic Mass | 259.02079g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 44.5Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number