| CAS Number | 1039878-71-1 |
| Catalog Number | AG003A8K(AGN-PC-05FS5L) |
| Chemical Name | 2-Amino-4-chloro-3-fluorobenzoic acid |
| IUPAC Name | 2-amino-4-chloro-3-fluorobenzoic acid |
| InChI | InChI=1S/C7H5ClFNO2/c8-4-2-1-3(7(11)12)6(10)5(4)9/h1-2H,10H2,(H,11,12) |
| InChI Key | AHROQQNUCNZNTI-UHFFFAOYSA-N |
| MDL Number | MFCD11193652 |
| Molecular Formula | C7H5ClFNO2 |
| Molecular Weight | 189.5715 |
| SMILES | NC1=C(C(=O)O)C=CC(=C1F)Cl |
| Synonyms | 2-amino-4-chloro-3-fluorobenzoic acid,
1039878-71-1,
2-Amino-4-chloro-3-fluoro-benzoic acid,
Benzoic acid, 2-amino-4-chloro-3-fluoro-,
SCHEMBL14358945,
AHROQQNUCNZNTI-UHFFFAOYSA-N,
1503AJ,
MFCD11193652,
ZINC20475958,
AKOS009260001,
AJ-77801,
AS-36425,
Z-6094,
Z2510258162,
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 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number