| CAS Number | 930395-60-1 |
| Catalog Number | AG019P3I |
| Chemical Name | 4-[(2,4-difluorophenyl)formamido]butanoic acid |
| IUPAC Name | 4-[(2,4-difluorobenzoyl)amino]butanoic acid |
| InChI | InChI=1S/C11H11F2NO3/c12-7-3-4-8(9(13)6-7)11(17)14-5-1-2-10(15)16/h3-4,6H,1-2,5H2,(H,14,17)(H,15,16) |
| InChI Key | NNCYCANQJMAAAJ-UHFFFAOYSA-N |
| MDL Number | MFCD09388779 |
| Molecular Formula | C11H11F2NO3 |
| Molecular Weight | 243.2067 |
| SMILES | OC(CCCNC(C1=C(F)C=C(F)C=C1)=O)=O |
| Synonyms | 4-[(2,4-difluorophenyl)formamido]butanoic acid,
930395-60-1,
4-[(2,4-difluorobenzoyl)amino]butanoic acid,
AC1Q75HS,
CTK7J3684,
ZINC12504815,
AKOS000118155,
MCULE-9846364385,
NE37394,
EN300-18568,
Z85888897,
|
| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 243.071g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 243.21g/mol |
| Monoisotopic Mass | 243.071g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number