| CAS Number | 1016527-12-0 |
| Catalog Number | AG019V7W |
| Chemical Name | 2-[2-(3-Fluorophenyl)acetamido]acetic acid |
| IUPAC Name | 2-[[2-(3-fluorophenyl)acetyl]amino]acetic acid |
| InChI | InChI=1S/C10H10FNO3/c11-8-3-1-2-7(4-8)5-9(13)12-6-10(14)15/h1-4H,5-6H2,(H,12,13)(H,14,15) |
| InChI Key | SBXIZYFQDBHTJU-UHFFFAOYSA-N |
| MDL Number | MFCD09807218 |
| Molecular Formula | C10H10FNO3 |
| Molecular Weight | 211.1897 |
| SMILES | OC(CNC(CC1=CC(F)=CC=C1)=O)=O |
| Synonyms | 2-[2-(3-fluorophenyl)acetamido]acetic acid,
2-[1-(3-fluorophenyl)acetamido]acetic acid,
1016527-12-0,
AC1Q75ZS,
CTK8F3932,
ZINC19387379,
AKOS000159774,
MCULE-7303775266,
NE33211,
EN300-44017,
|
| Complexity | 245 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.192g/mol |
| Monoisotopic Mass | 211.064g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number