| CAS Number | 1355247-63-0 |
| Catalog Number | AG007ZJF(AGN-PC-0J2C4T) |
| Chemical Name | 2-Chloro-4-(3-fluoro-4-methylphenyl)benzonitrile |
| IUPAC Name | 2-chloro-4-(3-fluoro-4-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H9ClFN/c1-9-2-3-11(7-14(9)16)10-4-5-12(8-17)13(15)6-10/h2-7H,1H3 |
| InChI Key | IXGMTTMNUXFKLU-UHFFFAOYSA-N |
| MDL Number | MFCD21333013 |
| Molecular Formula | C14H9ClFN |
| Molecular Weight | 245.6794 |
| SMILES | N#Cc1ccc(cc1Cl)c1ccc(c(c1)F)C |
| Synonyms | 2-Chloro-4-(3-fluoro-4-methylphenyl)benzonitrile,
1355247-63-0,
ACMC-209c2a,
CTK8B0399,
DTXSID60742777,
ANW-19904,
MFCD21333013,
ZINC85476903,
CJ-22381,
TC-108649,
Z9983,
K-4308,
3-Chloro-3'-fluoro-4'-methyl[1,1'-biphenyl]-4-carbonitrile,
C14H9ClFN,
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| Complexity | 311 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.681g/mol |
| Monoisotopic Mass | 245.041g/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