| CAS Number | 1001346-86-6 |
| Catalog Number | AG01ALOH |
| Chemical Name | 4-Amino-5-chloro-2-fluorobenzoic acid |
| IUPAC Name | 4-amino-5-chloro-2-fluorobenzoic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-4-1-3(7(11)12)5(9)2-6(4)10/h1-2H,10H2,(H,11,12) |
| InChI Key | UBVUOMYWOMBBGJ-UHFFFAOYSA-N |
| MDL Number | MFCD20660062 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | NC1=C(Cl)C=C(C(O)=O)C(F)=C1 |
| Synonyms | 4-amino-5-chloro-2-fluorobenzoic acid,
1001346-86-6,
SCHEMBL3544203,
UBVUOMYWOMBBGJ-UHFFFAOYSA-N,
AKOS024204658,
|
| Complexity | 190 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 188.999g/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 | 188.999g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number