| CAS Number | 1343867-93-5 |
| Catalog Number | AG01BU63 |
| Chemical Name | 4-Chloro-2-(propan-2-yloxy)benzonitrile |
| IUPAC Name | 4-chloro-2-propan-2-yloxybenzonitrile |
| InChI | InChI=1S/C10H10ClNO/c1-7(2)13-10-5-9(11)4-3-8(10)6-12/h3-5,7H,1-2H3 |
| InChI Key | FKCYFLVYSUFPMW-UHFFFAOYSA-N |
| MDL Number | MFCD17290880 |
| Molecular Formula | C10H10ClNO |
| Molecular Weight | 195.6455 |
| SMILES | CC(OC1=C(C#N)C=CC(Cl)=C1)C |
| Synonyms | 4-chloro-2-(propan-2-yloxy)benzonitrile,
1343867-93-5,
ZINC62790157,
AKOS012395157,
Z2787257092,
|
| Complexity | 208 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 195.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 195.646g/mol |
| Monoisotopic Mass | 195.045g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
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Certificate of Analysis
Lot Number