| CAS Number | 1021022-66-1 |
| Catalog Number | AG0006MS(AGN-PC-05DDQ3) |
| Chemical Name | 2-(2-Amino-5-fluorophenoxy)ethan-1-ol |
| IUPAC Name | 2-(2-amino-5-fluorophenoxy)ethanol |
| InChI | InChI=1S/C8H10FNO2/c9-6-1-2-7(10)8(5-6)12-4-3-11/h1-2,5,11H,3-4,10H2 |
| InChI Key | SAZALCDXEBPVAV-UHFFFAOYSA-N |
| MDL Number | MFCD11147836 |
| Molecular Formula | C8H10FNO2 |
| Molecular Weight | 171.1689 |
| SMILES | NC1=C(OCCO)C=C(F)C=C1 |
| Synonyms | 2-(2-amino-5-fluorophenoxy)ethan-1-ol,
1021022-66-1,
SCHEMBL15534581,
CTK7D8158,
AC1Q5193,
MFCD11147836,
ZINC19966564,
AKOS000245482,
MCULE-1054684280,
NE50873,
Ethanol, 2-(2-amino-5-fluorophenoxy)-,
EN300-53715,
AB01000547-01,
2-(2-amino-5-fluorophenoxy)ethanol,
6-Amino-3,4-dihydro-1(2H)-naphthalenone,
3470-53-9,
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| Complexity | 134 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.171g/mol |
| Monoisotopic Mass | 171.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.6 |
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Certificate of Analysis
Lot Number