| CAS Number | 1345471-46-6 |
| Catalog Number | AG009X1G |
| Chemical Name | 5-(4-Aminophenyl)-2-fluorobenzoic acid |
| IUPAC Name | 5-(4-aminophenyl)-2-fluorobenzoic acid |
| InChI | InChI=1S/C13H10FNO2/c14-12-6-3-9(7-11(12)13(16)17)8-1-4-10(15)5-2-8/h1-7H,15H2,(H,16,17) |
| InChI Key | HALRDBNKEGEYSJ-UHFFFAOYSA-N |
| MDL Number | MFCD20441864 |
| Molecular Formula | C13H10FNO2 |
| Molecular Weight | 231.2224 |
| SMILES | Nc1ccc(cc1)c1ccc(c(c1)C(=O)O)F |
| Synonyms | 5-(4-Aminophenyl)-2-fluorobenzoic acid,
1345471-46-6,
ACMC-209bvc,
CTK8B0235,
DTXSID50718360,
ANW-19654,
MFCD20441864,
ZINC74937786,
TC-108399,
Z9778,
K-4246,
4'-Amino-4-fluoro[1,1'-biphenyl]-3-carboxylic acid,
C13H10FNO2,
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| Complexity | 277 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.07g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.226g/mol |
| Monoisotopic Mass | 231.07g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 63.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number