| CAS Number | 1381944-55-3 |
| Catalog Number | AG00186Q(AGN-PC-0ADSDB) |
| Chemical Name | 5-Bromo-2-ethoxy-3-methylaniline |
| IUPAC Name | 5-bromo-2-ethoxy-3-methylaniline |
| InChI | InChI=1S/C9H12BrNO/c1-3-12-9-6(2)4-7(10)5-8(9)11/h4-5H,3,11H2,1-2H3 |
| InChI Key | SSICKDVKFUSOGF-UHFFFAOYSA-N |
| MDL Number | MFCD22375005 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CCOc1c(C)cc(cc1N)Br |
| Synonyms | 5-Bromo-2-ethoxy-3-methylaniline,
1381944-55-3,
ACMC-209cga,
CTK8B0724,
DTXSID40716794,
ANW-20408,
MFCD22375005,
ZINC66140714,
AKOS005357766,
CJ-21255,
Benzenamine, 5-bromo-2-ethoxy-3-methyl-,
TC-109153,
V2828,
B-9098,
C9H12BrNO,
|
| Complexity | 143 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
| Symbol: | |
|
Hazard statements
|
|
|
Precautionary statements
|
|
Certificate of Analysis
Lot Number