| CAS Number | 1236764-17-2 |
| Catalog Number | AG01ADS4(AGN-PC-0WODH7) |
| Chemical Name | 4-(Cyclopropylmethoxy)-2-fluoroaniline |
| IUPAC Name | 4-(cyclopropylmethoxy)-2-fluoroaniline |
| InChI | InChI=1S/C10H12FNO/c11-9-5-8(3-4-10(9)12)13-6-7-1-2-7/h3-5,7H,1-2,6,12H2 |
| InChI Key | ZKOYGWSMOSPUIO-UHFFFAOYSA-N |
| MDL Number | MFCD16074843 |
| Molecular Formula | C10H12FNO |
| Molecular Weight | 181.2068 |
| SMILES | NC1=C(F)C=C(OCC2CC2)C=C1 |
| Synonyms | 4-(cyclopropylmethoxy)-2-fluoroaniline,
1236764-17-2,
SCHEMBL2566669,
ZINC43472556,
AKOS010943652,
DB-106158,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.090292g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.21g/mol |
| Monoisotopic Mass | 181.090292g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 35.2Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number