| CAS Number | 1400644-73-6 |
| Catalog Number | AG009X2S(AGN-PC-0WAA40) |
| Chemical Name | 4-Bromo-5-chloro-2-(cyclopropylmethoxy)aniline HCl |
| IUPAC Name | 4-bromo-5-chloro-2-(cyclopropylmethoxy)aniline;hydrochloride |
| InChI | InChI=1S/C10H11BrClNO.ClH/c11-7-3-10(9(13)4-8(7)12)14-5-6-1-2-6;/h3-4,6H,1-2,5,13H2;1H |
| InChI Key | YUKQABSLVSSTPK-UHFFFAOYSA-N |
| MDL Number | MFCD22421486 |
| Molecular Formula | C10H12BrCl2NO |
| Molecular Weight | 313.0184 |
| SMILES | Nc1cc(Cl)c(cc1OCC1CC1)Br.Cl |
| Synonyms | 4-Bromo-5-chloro-2-(cyclopropylmethoxy)aniline HCl,
1400644-73-6,
V3009,
C10H12BrCl2NO,
|
| Complexity | 201 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 310.94793g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 313.01g/mol |
| Monoisotopic Mass | 310.94793g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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