| CAS Number | 940054-47-7 |
| Catalog Number | AG01BGGC |
| Chemical Name | 2-Amino-6-chloro-4-fluorobenzoic acid |
| IUPAC Name | 2-amino-6-chloro-4-fluorobenzoic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-4-1-3(9)2-5(10)6(4)7(11)12/h1-2H,10H2,(H,11,12) |
| InChI Key | IYEJFIJSRZFQFV-UHFFFAOYSA-N |
| MDL Number | MFCD20660119 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | NC1=C(C(O)=O)C(Cl)=CC(F)=C1 |
| Synonyms | 2-amino-6-chloro-4-fluorobenzoic acid,
940054-47-7,
SCHEMBL1398113,
ZINC83823364,
AKOS017531014,
Z2510258296,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999284g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 189.57g/mol |
| Monoisotopic Mass | 188.999284g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number