| CAS Number | 1951439-28-3 |
| Catalog Number | AG00I35J(AGN-PC-0WOH62) |
| Chemical Name | 4-(Benzyloxy)-5-bromobenzene-1,2-diamine hydrochloride |
| IUPAC Name | 4-bromo-5-phenylmethoxybenzene-1,2-diamine;hydrochloride |
| InChI | InChI=1S/C13H13BrN2O.ClH/c14-10-6-11(15)12(16)7-13(10)17-8-9-4-2-1-3-5-9;/h1-7H,8,15-16H2;1H |
| InChI Key | SQSBHKYEOLIJEC-UHFFFAOYSA-N |
| MDL Number | MFCD29922270 |
| Molecular Formula | C13H14BrClN2O |
| Molecular Weight | 329.6201 |
| SMILES | Brc1cc(N)c(cc1OCc1ccccc1)N.Cl |
| Synonyms | 4-(Benzyloxy)-5-bromobenzene-1,2-diamine hydrochloride,
1951439-28-3,
|
| Complexity | 234 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 327.998g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.622g/mol |
| Monoisotopic Mass | 327.998g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 61.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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