| CAS Number | 1177558-46-1 |
| Catalog Number | AG01BJ9V |
| Chemical Name | (3-bromo-5-methoxyphenyl)methanamine |
| IUPAC Name | (3-bromo-5-methoxyphenyl)methanamine |
| InChI | InChI=1S/C8H10BrNO/c1-11-8-3-6(5-10)2-7(9)4-8/h2-4H,5,10H2,1H3 |
| InChI Key | DFTOTOJXAAJQNO-UHFFFAOYSA-N |
| MDL Number | MFCD18391889 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | COC1=CC(CN)=CC(Br)=C1 |
| Synonyms | 3-BROMO-5-METHOXYBENZYLAMINE,
(3-BROMO-5-METHOXYPHENYL)METHANAMINE,
1177558-46-1,
SCHEMBL1362261,
DFTOTOJXAAJQNO-UHFFFAOYSA-N,
ZINC84482350,
AB75539,
SC-36679,
{[3-Bromo-5-(methyloxy)phenyl]methyl}amine,
FT-0714681,
1-(3-BROMO-5-METHOXYPHENYL)METHANAMINE,
|
| Complexity | 121 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.995g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number