| CAS Number | 26646-25-3 |
| Catalog Number | AG00BNDH(AGN-PC-03Q0B8) |
| Chemical Name | 1-(2-Aminoethoxy)-2-bromobenzene |
| IUPAC Name | 2-(2-bromophenoxy)ethanamine |
| InChI | InChI=1S/C8H10BrNO/c9-7-3-1-2-4-8(7)11-6-5-10/h1-4H,5-6,10H2 |
| InChI Key | UWRFNXLTMNVOTG-UHFFFAOYSA-N |
| MDL Number | MFCD06212952 |
| Molecular Formula | C8H10BrNO |
| Molecular Weight | 216.0751 |
| SMILES | C1=CC=C(C(=C1)Br)OCCN |
| Synonyms | 2-(2-Bromo-phenoxy)-ethylamine,
26646-25-3,
2-(2-BROMOPHENOXY)ETHANAMINE,
2-(2-Bromophenoxy)ethan-1-amine,
2-(2-Bromophenoxy)ethylamine,
SCHEMBL1458209,
DTXSID00627579,
UWRFNXLTMNVOTG-UHFFFAOYSA-N,
1-(2-Aminoethoxy)-2-bromobenzene,
ZINC11945817,
AKOS000176960,
MCULE-6592032601,
AM100598,
SC-42440,
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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 | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 216.078g/mol |
| Monoisotopic Mass | 214.995g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
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Certificate of Analysis
Lot Number