| CAS Number | 1208077-61-5 |
| Catalog Number | AG01FEBM(AGN-PC-3H4A1G) |
| Chemical Name | 4-Bromo-2-methoxy-3-methylaniline |
| IUPAC Name | 4-bromo-2-methoxy-3-methylaniline |
| InChI | InChI=1S/C8H10BrNO/c1-5-6(9)3-4-7(10)8(5)11-2/h3-4H,10H2,1-2H3 |
| InChI Key | AAKVNFFHLAXJBJ-UHFFFAOYSA-N |
| MDL Number | MFCD12547894 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | C1(=C(C=CC(N)=C1OC)Br)C |
| Synonyms | 4-Bromo-2-methoxy-3-methylaniline,
1208077-61-5,
ZINC40571714,
|
| Complexity | 131 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number