| CAS Number | 1037164-60-5 |
| Catalog Number | AG01AB4T |
| Chemical Name | (4-Ethoxy-3-fluorophenyl)methanamine |
| IUPAC Name | (4-ethoxy-3-fluorophenyl)methanamine |
| InChI | InChI=1S/C9H12FNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2,6,11H2,1H3 |
| InChI Key | ZSTGBCYTQGGAQA-UHFFFAOYSA-N |
| MDL Number | MFCD11191786 |
| Molecular Formula | C9H12FNO |
| Molecular Weight | 169.1961 |
| SMILES | CCOC1=C(F)C=C(CN)C=C1 |
| Synonyms | (4-ethoxy-3-fluorophenyl)methanamine,
1037164-60-5,
4-Ethoxy-3-fluorobenzylamine,
AC1Q35MQ,
SCHEMBL3126227,
ZINC20469925,
AKOS009249647,
MCULE-7257434400,
NE29817,
EN300-70476,
A1-07092,
Z1263811758,
|
| 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 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number