| CAS Number | 1352318-35-4 |
| Catalog Number | AG007ZOA(AGN-PC-0BGICA) |
| Chemical Name | 2-(3-Chloro-4-fluorophenyl)benzonitrile |
| IUPAC Name | 2-(3-chloro-4-fluorophenyl)benzonitrile |
| InChI | InChI=1S/C13H7ClFN/c14-12-7-9(5-6-13(12)15)11-4-2-1-3-10(11)8-16/h1-7H |
| InChI Key | MVUUUJVDXYEMKT-UHFFFAOYSA-N |
| MDL Number | MFCD20529504 |
| Molecular Formula | C13H7ClFN |
| Molecular Weight | 231.6528 |
| SMILES | N#Cc1ccccc1c1ccc(c(c1)Cl)F |
| Synonyms | 2-(3-Chloro-4-fluorophenyl)benzonitrile,
1352318-35-4,
ACMC-209byx,
CTK8B0303,
DTXSID70718403,
ANW-19783,
MFCD20529504,
ZINC74937845,
AKOS026672791,
CJ-21803,
TC-108528,
Z9870,
K-4278,
3'-Chloro-4'-fluoro[1,1'-biphenyl]-2-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 | 4.4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number