| CAS Number | 1345732-63-9 |
| Catalog Number | AG007M2O(AGN-PC-0J2C37) |
| Chemical Name | 3-(3-Chloro-5-fluorophenyl)benzonitrile |
| IUPAC Name | 3-(3-chloro-5-fluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7ClFN/c14-12-5-11(6-13(15)7-12)10-3-1-2-9(4-10)8-16/h1-7H |
| InChI Key | MUESONCCELXLSA-UHFFFAOYSA-N |
| MDL Number | MFCD21609636 |
| Molecular Formula | C13H7ClFN |
| Molecular Weight | 231.6528 |
| SMILES | N#Cc1cccc(c1)c1cc(F)cc(c1)Cl |
| Synonyms | 3-(3-Chloro-5-fluorophenyl)benzonitrile,
1345732-63-9,
ACMC-209bw9,
CTK8B0268,
DTXSID90742720,
ANW-19687,
MFCD21609636,
ZINC85476817,
CJ-22365,
TC-108432,
Z9813,
3'-Chloro-5'-fluoro[1,1'-biphenyl]-3-carbonitrile,
C13H7ClFN,
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| Complexity | 285 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 231.025g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 231.654g/mol |
| Monoisotopic Mass | 231.025g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number