| CAS Number | 121496-16-0 |
| Catalog Number | AG00152R(AGN-PC-03LAR1) |
| Chemical Name | 2-((3-Bromophenyl)amino)ethanol |
| IUPAC Name | 2-(3-bromoanilino)ethanol |
| InChI | InChI=1S/C8H10BrNO/c9-7-2-1-3-8(6-7)10-4-5-11/h1-3,6,10-11H,4-5H2 |
| InChI Key | LNDNQRFPYAVKMQ-UHFFFAOYSA-N |
| MDL Number | MFCD11153189 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | OCCNC1=CC(Br)=CC=C1 |
| Synonyms | 121496-16-0,
Ethanol, 2-[(3-bromophenyl)amino]-,
2-((3-Bromophenyl)amino)ethanol,
ACMC-20mpis,
2-(3-Bromoanilino)ethanol,
SCHEMBL3050579,
2-(3-Bromoanilino)ethan-1-ol,
CTK0F8331,
2-(3-bromo-phenylamino)-ethanol,
DTXSID90623060,
LNDNQRFPYAVKMQ-UHFFFAOYSA-N,
ZINC20051887,
AKOS000253852,
2-[(3-bromophenyl)amino]Ethanol,
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| Complexity | 110 |
| 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 | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 32.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number