| CAS Number | 926258-95-9 |
| Catalog Number | AG019WUY |
| Chemical Name | 4-[(4-Fluorophenyl)formamido]butanoic acid |
| IUPAC Name | 4-[(4-fluorobenzoyl)amino]butanoic acid |
| InChI | InChI=1S/C11H12FNO3/c12-9-5-3-8(4-6-9)11(16)13-7-1-2-10(14)15/h3-6H,1-2,7H2,(H,13,16)(H,14,15) |
| InChI Key | KUORYIVIRXDREX-UHFFFAOYSA-N |
| MDL Number | MFCD08443059 |
| Molecular Formula | C11H12FNO3 |
| Molecular Weight | 225.2163 |
| SMILES | OC(CCCNC(C1=CC=C(F)C=C1)=O)=O |
| Synonyms | 4-[(4-fluorophenyl)formamido]butanoic acid,
926258-95-9,
4-[(4-fluorobenzoyl)amino]butanoic acid,
AC1Q75HU,
CTK7F7173,
4-(4-fluorobenzamido)butanoic acid,
ZINC11891862,
AKOS000125930,
MCULE-6200336097,
NE35435,
EN300-53219,
Z85888817,
Butanoic acid, 4-[(4-fluorobenzoyl)amino],
|
| Complexity | 250 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 225.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 225.219g/mol |
| Monoisotopic Mass | 225.08g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number