| CAS Number | 1613265-20-5 |
| Catalog Number | AG01FH7W(AGN-PC-3H4AMA) |
| Chemical Name | 4-Bromo-3-methoxy-2-nitroaniline |
| IUPAC Name | 4-bromo-3-methoxy-2-nitroaniline |
| InChI | InChI=1S/C7H7BrN2O3/c1-13-7-4(8)2-3-5(9)6(7)10(11)12/h2-3H,9H2,1H3 |
| InChI Key | ZUVPLAXTIHYQOU-UHFFFAOYSA-N |
| MDL Number | MFCD28515361 |
| Molecular Formula | C7H7BrN2O3 |
| Molecular Weight | 247.0461 |
| SMILES | BrC1=C(C(=C(N)C=C1)[N+](=O)[O-])OC |
| Synonyms | 4-Bromo-3-methoxy-2-nitroaniline,
1613265-20-5,
SCHEMBL15774527,
MFCD28515361,
ZINC145894793,
FCH3717047,
OR400689,
PS-10553,
|
| Complexity | 197 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.964g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.048g/mol |
| Monoisotopic Mass | 245.964g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number