| CAS Number | 1381944-54-2 |
| Catalog Number | AG00186R(AGN-PC-0J2CCC) |
| Chemical Name | 4-(2-Chloro-5-methylphenyl)-2-fluorobenzonitrile |
| IUPAC Name | 4-(2-chloro-5-methylphenyl)-2-fluorobenzonitrile |
| InChI | InChI=1S/C14H9ClFN/c1-9-2-5-13(15)12(6-9)10-3-4-11(8-17)14(16)7-10/h2-7H,1H3 |
| InChI Key | SSQHGSWBIBVSGZ-UHFFFAOYSA-N |
| MDL Number | MFCD22375081 |
| Molecular Formula | C14H9ClFN |
| Molecular Weight | 245.6794 |
| SMILES | N#Cc1ccc(cc1F)c1cc(C)ccc1Cl |
| Synonyms | 4-(2-Chloro-5-methylphenyl)-2-fluorobenzonitrile,
1381944-54-2,
ACMC-209cg9,
CTK8B0723,
DTXSID00743046,
ANW-20407,
MFCD22375081,
ZINC85477305,
CJ-22465,
TC-109152,
V2827,
B-8678,
2'-Chloro-3-fluoro-5'-methyl[1,1'-biphenyl]-4-carbonitrile,
[1,1'-Biphenyl]-4-carbonitrile, 2'-chloro-3-fluoro-5'-methyl-,
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