| CAS Number | 1158570-31-0 |
| Catalog Number | AG0090V3(AGN-PC-0WB6FG) |
| Chemical Name | (5-Chloro-6-Methylbenzo[D]Oxazol-2-Yl)Methanamine Hydrochloride |
| IUPAC Name | (5-chloro-6-methyl-1,3-benzoxazol-2-yl)methanamine;hydrochloride |
| InChI | InChI=1S/C9H9ClN2O.ClH/c1-5-2-8-7(3-6(5)10)12-9(4-11)13-8;/h2-3H,4,11H2,1H3;1H |
| InChI Key | MOYJWBXVVCQFNI-UHFFFAOYSA-N |
| MDL Number | MFCD11696391 |
| Molecular Formula | C9H10Cl2N2O |
| Molecular Weight | 233.0945 |
| SMILES | N1=C(CN)OC2C=C(C)C(Cl)=CC1=2.Cl |
| Synonyms | 1158570-31-0,
(5-chloro-6-methyl-1,3-benzoxazol-2-yl)methylamine hydrochloride,
(5-Chloro-6-methylbenzo[d]oxazol-2-yl)methanamine hydrochloride,
CTK8F1857,
ZX-CM000308,
9633AC,
MFCD09701654,
AKOS027426051,
(5-chloro-6-methyl-1,3-benzoxazol-2-yl)methanamine hydrochloride,
1-(5-Chloro-6-methyl-1,3-benzoxazol-2-yl)methanamine hydrochloride,
C9H10Cl2N2O,
(5-CHLORO-6-METHYL-1,3-BENZOXAZOL-2-YL)-METHYLAMINE HYDROCHLORIDE,
1035840-75-5,
|
| Complexity | 191 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 232.017g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 233.092g/mol |
| Monoisotopic Mass | 232.017g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 52A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number