| CAS Number | 1393712-42-9 |
| Catalog Number | AG01EABK |
| Chemical Name | 1-(4-Aminophenyl)-2,2-difluoroethan-1-one |
| IUPAC Name | 1-(4-aminophenyl)-2,2-difluoroethanone |
| InChI | InChI=1S/C8H7F2NO/c9-8(10)7(12)5-1-3-6(11)4-2-5/h1-4,8H,11H2 |
| InChI Key | DRWYPSOSYPPHQP-UHFFFAOYSA-N |
| MDL Number | MFCD31690476 |
| Molecular Formula | C8H7F2NO |
| Molecular Weight | 171.1441 |
| SMILES | NC1=CC=C(C(C(F)F)=O)C=C1 |
| Synonyms | 1-(4-aminophenyl)-2,2-difluoroethan-1-one,
1393712-42-9,
AKOS034180443,
|
| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.147g/mol |
| Monoisotopic Mass | 171.05g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 43.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.7 |
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Certificate of Analysis
Lot Number