| CAS Number | 1290117-11-1 |
| Catalog Number | AG009X0M(AGN-PC-0WA81D) |
| Chemical Name | 3-Amino-5-bromo-4-fluorobenzoic acid |
| IUPAC Name | 3-amino-5-bromo-4-fluorobenzoic acid |
| InChI | InChI=1S/C7H5BrFNO2/c8-4-1-3(7(11)12)2-5(10)6(4)9/h1-2H,10H2,(H,11,12) |
| InChI Key | GLQFRAJMWXKZMH-UHFFFAOYSA-N |
| MDL Number | MFCD22192374 |
| Molecular Formula | C7H5BrFNO2 |
| Molecular Weight | 234.0225 |
| SMILES | NC=1C=C(C(=O)O)C=C(C1F)Br |
| Synonyms | 3-AMINO-5-BROMO-4-FLUOROBENZOIC ACID,
1290117-11-1,
KM3617,
MFCD22192374,
ZINC95217895,
Z9454,
C7H5BrFNO2,
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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 | 232.949g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.024g/mol |
| Monoisotopic Mass | 232.949g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number