| CAS Number | 1154882-16-2 |
| Catalog Number | AG00IUEO(AGN-PC-0WAZJW) |
| Chemical Name | 2-Ethoxy-6-fluorobenzylamine |
| IUPAC Name | (2-ethoxy-6-fluorophenyl)methanamine |
| InChI | InChI=1S/C9H12FNO/c1-2-12-9-5-3-4-8(10)7(9)6-11/h3-5H,2,6,11H2,1H3 |
| InChI Key | AOWNXEJSVUTGMF-UHFFFAOYSA-N |
| MDL Number | MFCD12088132 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | C1=CC=C(C(=C1F)CN)OCC |
| Synonyms | 2-Ethoxy-6-fluorobenzylamine,
1154882-16-2,
(2-ethoxy-6-fluorophenyl)methanamine,
SCHEMBL17778286,
DTXSID70656235,
ZINC36307089,
AKOS009624713,
FS-2709,
1-(2-Ethoxy-6-fluorophenyl)methanamine,
KS-000025A3,
|
| Complexity | 132 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 169.09g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 169.199g/mol |
| Monoisotopic Mass | 169.09g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number