| CAS Number | 883226-00-4 |
| Catalog Number | AG01AGKW |
| Chemical Name | 2-[(2-Chloro-6-fluorophenyl)formamido]acetic acid |
| IUPAC Name | 2-[(2-chloro-6-fluorobenzoyl)amino]acetic acid |
| InChI | InChI=1S/C9H7ClFNO3/c10-5-2-1-3-6(11)8(5)9(15)12-4-7(13)14/h1-3H,4H2,(H,12,15)(H,13,14) |
| InChI Key | ZFEUSPILIYJEFJ-UHFFFAOYSA-N |
| MDL Number | MFCD04123177 |
| Molecular Formula | C9H7ClFNO3 |
| Molecular Weight | 231.6082 |
| SMILES | OC(CNC(C1=C(Cl)C=CC=C1F)=O)=O |
| Synonyms | 2-[(2-chloro-6-fluorophenyl)formamido]acetic acid,
883226-00-4,
AC1MBV86,
AC1Q75XN,
CTK7J5193,
ZINC4377435,
CCG-53219,
AKOS000160529,
MCULE-3019496564,
NE41454,
EN300-72163,
2-[(2-chloro-6-fluorobenzoyl)amino]acetic acid,
SR-01000004005,
SR-01000004005-1,
SR-01000004005-2,
Z85886697,
CID2731829,
2-[(2-chloro-6-fluoro-benzoyl)amino]acetic Acid,
|
| Complexity | 262 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.01g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.607g/mol |
| Monoisotopic Mass | 231.01g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number