| CAS Number | 1381944-81-5 |
| Catalog Number | AG00187F(AGN-PC-0IUMUN) |
| Chemical Name | 2-Fluoro-4-(3-methylphenyl)benzonitrile |
| IUPAC Name | 2-fluoro-4-(3-methylphenyl)benzonitrile |
| InChI | InChI=1S/C14H10FN/c1-10-3-2-4-11(7-10)12-5-6-13(9-16)14(15)8-12/h2-8H,1H3 |
| InChI Key | OQXOVHWHFHLROE-UHFFFAOYSA-N |
| MDL Number | MFCD22375071 |
| Molecular Formula | C14H10FN |
| Molecular Weight | 211.2343 |
| SMILES | N#Cc1ccc(cc1F)c1cccc(c1)C |
| Synonyms | 2-Fluoro-4-(3-methylphenyl)benzonitrile,
1381944-81-5,
ACMC-209cgy,
SCHEMBL8265080,
CTK8B0748,
DTXSID00741825,
ANW-20432,
MFCD22375071,
ZINC85477336,
CJ-22472,
TC-109177,
V2853,
3-Fluoro-3'-methyl[1,1'-biphenyl]-4-carbonitrile,
[1,1'-Biphenyl]-4-carbonitrile, 3-fluoro-3'-methyl-,
C14H10FN,
B-8928,
3-fluoro-3'-methyl-[1,1'-biphenyl]-4-carbonitrile,
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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