| CAS Number | 93748-09-5 |
| Catalog Number | AG00H2EV(AGN-PC-0W3COG) |
| Chemical Name | 2-(4-Fluorophenyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(4-fluorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H10FN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3 |
| InChI Key | UOEIWAZNZTXYSC-UHFFFAOYSA-N |
| MDL Number | MFCD11036570 |
| Molecular Formula | C10H10FN |
| Molecular Weight | 163.1915 |
| SMILES | FC1=CC=C(C=C1)C(C#N)(C)C |
| Synonyms | 2-(4-fluorophenyl)-2-methylpropanenitrile,
93748-09-5,
SCHEMBL2534039,
UOEIWAZNZTXYSC-UHFFFAOYSA-N,
ZINC37934430,
2-(4-fluorophenyl)-2-methylpropionitrile,
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| Complexity | 193 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 163.08g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 163.195g/mol |
| Monoisotopic Mass | 163.08g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number