| CAS Number | 172404-33-0 |
| Catalog Number | AG00ANYF |
| Chemical Name | 5-Amino-2-chloro-4-fluorobenzoic acid |
| IUPAC Name | 5-amino-2-chloro-4-fluorobenzoic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-4-2-5(9)6(10)1-3(4)7(11)12/h1-2H,10H2,(H,11,12) |
| InChI Key | GANBUJGJERTPPV-UHFFFAOYSA-N |
| MDL Number | MFCD17168707 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | NC=1C(=CC(=C(C(=O)O)C1)Cl)F |
| Synonyms | 5-Amino-2-chloro-4-fluorobenzoic acid,
172404-33-0,
5-Amino-2-chloro-4-fluoro-benzoic acid,
ACMC-209e4h,
SCHEMBL1786163,
CTK8B0993,
DTXSID20476607,
GANBUJGJERTPPV-UHFFFAOYSA-N,
ANW-22575,
MFCD17168707,
ZINC38843963,
AKOS012322371,
2-Chloro-4-fluoro-5-aminobenzoic Acid,
TC-111320,
V3771,
Z-9147,
C7H5ClFNO2,
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| 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
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Certificate of Analysis
Lot Number