| CAS Number | 1261960-99-9 |
| Catalog Number | AG009X03(AGN-PC-0WA8GW) |
| Chemical Name | 3-Chloro-5-(3-cyano-2-fluorophenyl)phenol |
| IUPAC Name | 3-(3-chloro-5-hydroxyphenyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C13H7ClFNO/c14-10-4-9(5-11(17)6-10)12-3-1-2-8(7-16)13(12)15/h1-6,17H |
| InChI Key | YNAZOQWGNKHNEE-UHFFFAOYSA-N |
| MDL Number | MFCD18315556 |
| Molecular Formula | C13H7ClFNO |
| Molecular Weight | 247.6522 |
| SMILES | N#Cc1cccc(c1F)c1cc(O)cc(c1)Cl |
| Synonyms | 3-CHLORO-5-(3-CYANO-2-FLUOROPHENYL)PHENOL,
1261960-99-9,
C13H7ClFNO,
DTXSID60685953,
MFCD18315556,
ZINC65343240,
Z9222,
3'-Chloro-2-fluoro-5'-hydroxy[1,1'-biphenyl]-3-carbonitrile,
3-(3-chloro-5-hydroxyphenyl)-2-fluorobenzonitrile,
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| Complexity | 316 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.02g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 247.653g/mol |
| Monoisotopic Mass | 247.02g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 44A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number