| CAS Number | 1400644-27-0 |
| Catalog Number | AG009X30(AGN-PC-0WAA43) |
| Chemical Name | 4-Bromo-5-chloro-2-propoxyaniline HCl |
| IUPAC Name | 4-bromo-5-chloro-2-propoxyaniline;hydrochloride |
| InChI | InChI=1S/C9H11BrClNO.ClH/c1-2-3-13-9-4-6(10)7(11)5-8(9)12;/h4-5H,2-3,12H2,1H3;1H |
| InChI Key | XRECPGWODPIBCQ-UHFFFAOYSA-N |
| MDL Number | MFCD22421485 |
| Molecular Formula | C9H12BrCl2NO |
| Molecular Weight | 301.0077 |
| SMILES | CCCOc1cc(Br)c(cc1N)Cl.Cl |
| Synonyms | 4-Bromo-5-chloro-2-propoxyaniline HCl,
1400644-27-0,
C9H12BrCl2NO,
V2991,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 298.948g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 301.005g/mol |
| Monoisotopic Mass | 298.948g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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