| CAS Number | 1352317-82-8 |
| Catalog Number | AG007ZOD(AGN-PC-0WNUTO) |
| Chemical Name | 3-(2-Cyanophenyl)-5-fluorobenzoic acid |
| IUPAC Name | 3-(2-cyanophenyl)-5-fluorobenzoic acid |
| InChI | InChI=1S/C14H8FNO2/c15-12-6-10(5-11(7-12)14(17)18)13-4-2-1-3-9(13)8-16/h1-7H,(H,17,18) |
| InChI Key | YODBSTTVOCZOPQ-UHFFFAOYSA-N |
| MDL Number | MFCD20529461 |
| Molecular Formula | C14H8FNO2 |
| Molecular Weight | 241.2172 |
| SMILES | N#Cc1ccccc1c1cc(F)cc(c1)C(=O)O |
| Synonyms | 3-(2-Cyanophenyl)-5-fluorobenzoic acid,
1352317-82-8,
ACMC-209byc,
CTK8B0282,
DTXSID70718362,
ANW-19762,
MFCD20529461,
ZINC74937788,
AKOS026672774,
TC-108507,
Z9849,
B-9742,
2'-Cyano-5-fluoro[1,1'-biphenyl]-3-carboxylic acid,
C14H8FNO2,
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| Complexity | 362 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 241.054g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 241.221g/mol |
| Monoisotopic Mass | 241.054g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 61.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number