| CAS Number | 1798017-37-4 |
| Catalog Number | AG01B1OB |
| Chemical Name | (2-Bromo-3-methylphenyl)methanamine hydrochloride |
| IUPAC Name | (2-bromo-3-methylphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10BrN.ClH/c1-6-3-2-4-7(5-10)8(6)9;/h2-4H,5,10H2,1H3;1H |
| InChI Key | HXRSMPWFFSEIFO-UHFFFAOYSA-N |
| MDL Number | MFCD11045189 |
| Molecular Formula | C8H11BrClN |
| Molecular Weight | 236.5366 |
| SMILES | Cl.CC1=C(Br)C(CN)=CC=C1 |
| Synonyms | (2-bromo-3-methylphenyl)methanamine hydrochloride,
1798017-37-4,
MCULE-5793799377,
NE14849,
Z1809367916,
|
| Complexity | 105 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.976g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.537g/mol |
| Monoisotopic Mass | 234.976g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 26A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number