| CAS Number | 893642-00-7 |
| Catalog Number | AG003SOC(AGN-PC-0WAEEZ) |
| Chemical Name | N-Acetyl 2-fluoro-4-(3-hydroxy-3-methylbut-1-ynyl)aniline |
| IUPAC Name | N-[2-fluoro-4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]acetamide |
| InChI | InChI=1S/C13H14FNO2/c1-9(16)15-12-5-4-10(8-11(12)14)6-7-13(2,3)17/h4-5,8,17H,1-3H3,(H,15,16) |
| InChI Key | JWGKUXZRKQDONQ-UHFFFAOYSA-N |
| MDL Number | MFCD08701794 |
| Molecular Formula | C13H14FNO2 |
| Molecular Weight | 235.2542 |
| SMILES | CC(=O)Nc1ccc(cc1F)C#CC(O)(C)C |
| Synonyms | 893642-00-7,
N-(2-Fluoro-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl)acetamide,
N-ACETYL 2-FLUORO-4-(3-HYDROXY-3-METHYLBUT-1-YNYL)ANILINE,
N-[2-Fluoro-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenyl]acetamide,
ACMC-209qzt,
CTK5G2939,
DTXSID60629716,
ANW-39255,
MFCD08701794,
ZINC26548001,
AKOS004116721,
AJ-82607,
AX8229286,
TR-038267,
ST24025548,
V8788,
B-4848,
I14-25065,
N-Acetyl2-fluoro-4-(3-hydroxy-3-methyl but-1-ynyl)aniline,
C13H14FNO2,
JWGKUXZRKQDONQ-UHFFFAOYSA-N,
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| Complexity | 353 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 235.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.258g/mol |
| Monoisotopic Mass | 235.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number