| CAS Number | 1375997-08-2 |
| Catalog Number | AG0013LJ(AGN-PC-0WCK75) |
| Chemical Name | (3-Bromo-2-methoxyphenyl)methanamine hydrochloride |
| IUPAC Name | (3-bromo-2-methoxyphenyl)methanamine;hydrochloride |
| InChI | InChI=1S/C8H10BrNO.ClH/c1-11-8-6(5-10)3-2-4-7(8)9;/h2-4H,5,10H2,1H3;1H |
| InChI Key | SKMDIBQGWFWHGU-UHFFFAOYSA-N |
| MDL Number | MFCD11045218 |
| Molecular Formula | C8H11BrClNO |
| Molecular Weight | 252.5360 |
| SMILES | COC1=C(C=CC=C1Br)CN.Cl |
| Synonyms | (3-bromo-2-methoxyphenyl)methanamine hydrochloride,
1375997-08-2,
AKOS022178509,
MCULE-5320425736,
NE51766,
A1-00613,
Z1365534341,
Benzenemethanamine, 3-bromo-2-methoxy-, hydrochloride (1:1),
{[3-bromo-2-(methyloxy)phenyl]methyl}amine hydrochloride,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 250.971g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 252.536g/mol |
| Monoisotopic Mass | 250.971g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number