| CAS Number | 1260650-69-8 |
| Catalog Number | AG000QYA(AGN-PC-0HQZBU) |
| Chemical Name | 4-(3-Fluoropyridin-2-yl)benzoic acid |
| IUPAC Name | 4-(3-fluoropyridin-2-yl)benzoic acid |
| InChI | InChI=1S/C12H8FNO2/c13-10-2-1-7-14-11(10)8-3-5-9(6-4-8)12(15)16/h1-7H,(H,15,16) |
| InChI Key | PJLFLAVUDJSGDA-UHFFFAOYSA-N |
| MDL Number | MFCD11042907 |
| Molecular Formula | C12H8FNO2 |
| Molecular Weight | 217.1958 |
| SMILES | Fc1cccnc1c1ccc(cc1)C(=O)O |
| Synonyms | 4-(3-fluoropyridin-2-yl)benzoic acid,
1260650-69-8,
ACMC-209b1d,
SCHEMBL10325337,
CTK8A9614,
DTXSID20737962,
PJLFLAVUDJSGDA-UHFFFAOYSA-N,
ANW-18575,
MFCD11042907,
ZINC75877677,
4-(3-fluoro-pyridine-2-yl)benzoic acid,
AJ-122043,
AX8243101,
Benzoic acid, 4-(3-fluoro-2-pyridinyl)-,
TC-107320,
Z9030,
B-9776,
C12H8FNO2,
4-(3-Fluoropyridin-2-yl)benzoicacid,
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| Complexity | 251 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 217.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 217.199g/mol |
| Monoisotopic Mass | 217.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 50.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number