| CAS Number | 1352318-43-4 |
| Catalog Number | AG006ZAM(AGN-PC-0BGIBM) |
| Chemical Name | 3-(3-Fluoro-4-methylphenyl)benzonitrile |
| IUPAC Name | 3-(3-fluoro-4-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FN/c1-10-5-6-13(8-14(10)15)12-4-2-3-11(7-12)9-16/h2-8H,1H3 |
| InChI Key | AGTSDCJWBCGXRP-UHFFFAOYSA-N |
| MDL Number | MFCD20529480 |
| Molecular Formula | C14H10FN |
| Molecular Weight | 211.2343 |
| SMILES | N#Cc1cccc(c1)c1ccc(c(c1)F)C |
| Synonyms | 3-(3-Fluoro-4-methylphenyl)benzonitrile,
1352318-43-4,
ACMC-209bz5,
CTK8B0311,
DTXSID10718386,
ANW-19791,
MFCD20529480,
ZINC74937821,
CJ-21796,
TC-108536,
Z9877,
B-8501,
3'-Fluoro-4'-methyl[1,1'-biphenyl]-3-carbonitrile,
C14H10FN,
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| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 211.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 211.239g/mol |
| Monoisotopic Mass | 211.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number