| CAS Number | 58777-85-8 |
| Catalog Number | AG01AL72(AGN-PC-0SQIXA) |
| Chemical Name | 1-(3-Bromophenyl)-2-(methylamino)ethan-1-ol |
| IUPAC Name | 1-(3-bromophenyl)-2-(methylamino)ethanol |
| InChI | InChI=1S/C9H12BrNO/c1-11-6-9(12)7-3-2-4-8(10)5-7/h2-5,9,11-12H,6H2,1H3 |
| InChI Key | ZSHMDPGVNLYOSQ-UHFFFAOYSA-N |
| MDL Number | MFCD11938630 |
| Molecular Formula | C9H12BrNO |
| Molecular Weight | 230.1017 |
| SMILES | CNCC(C1=CC(Br)=CC=C1)O |
| Synonyms | 1-(3-bromophenyl)-2-(methylamino)ethan-1-ol,
58777-85-8,
1-(3-bromophenyl)-2-(methylamino)ethanol,
SCHEMBL4049003,
ZSHMDPGVNLYOSQ-UHFFFAOYSA-N,
AKOS010125946,
FT-0723613,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 229.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.105g/mol |
| Monoisotopic Mass | 229.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
Lot Number