| CAS Number | 52173-35-0 |
| Catalog Number | AG00DC6U(AGN-PC-0OBNQJ) |
| Chemical Name | N-(3-fluorophenyl)-3-oxobutanamide |
| IUPAC Name | N-(3-fluorophenyl)-3-oxobutanamide |
| InChI | InChI=1S/C10H10FNO2/c1-7(13)5-10(14)12-9-4-2-3-8(11)6-9/h2-4,6H,5H2,1H3,(H,12,14) |
| InChI Key | WNODWKRJSDXRKS-UHFFFAOYSA-N |
| MDL Number | MFCD00232365 |
| Molecular Formula | C10H10FNO2 |
| Molecular Weight | 195.1903 |
| SMILES | CC(CC(NC1=CC(F)=CC=C1)=O)=O |
| Synonyms | N-(3-fluorophenyl)-3-oxobutanamide,
52173-35-0,
N-(3-FLUORO-PHENYL)-3-OXO-BUTYRAMIDE,
AC1LGCOE,
Butanamide, N-(3-fluorophenyl)-3-oxo-,
AC1Q1K2S,
SCHEMBL5437154,
CTK7G6875,
KS-00001YAO,
WNODWKRJSDXRKS-UHFFFAOYSA-N,
ZINC294063,
MFCD00232365,
AKOS000166276,
MCULE-6510523882,
NE22740,
ST51017190,
EN300-39637,
6G-910,
CID792561,
ZINC00294063,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.193g/mol |
| Monoisotopic Mass | 195.07g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number