| CAS Number | 30568-32-2 |
| Catalog Number | AG0030K4(AGN-PC-0R5VYB) |
| Chemical Name | Benzeneacetonitrile, 4-chloro-α,α-dimethyl- |
| IUPAC Name | 2-(4-chlorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H10ClN/c1-10(2,7-12)8-3-5-9(11)6-4-8/h3-6H,1-2H3 |
| InChI Key | GQOLYABRQATDOI-UHFFFAOYSA-N |
| MDL Number | MFCD11036581 |
| Molecular Formula | C10H10ClN |
| Molecular Weight | 179.6461 |
| SMILES | CC(C)(C1=CC=C(Cl)C=C1)C#N |
| Synonyms | 30568-32-2,
2-(4-chlorophenyl)-2-methylpropanenitrile,
2-(4-chlorophenyl)-2-methylpropionitrile,
Benzeneacetonitrile, 4-chloro-alpha,alpha-dimethyl-,
SCHEMBL3413029,
GQOLYABRQATDOI-UHFFFAOYSA-N,
MFCD11036581,
ZINC34278683,
p-Chloro-alpha-methylhydratroponitrile,
AKOS010213739,
MCULE-4547417460,
alpha,alpha-Dimethyl-4-chlorobenzeneacetonitrile,
CID10130219,
2-(4-chlorophenyl)-2-methyl-propanenitrile,
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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 | 179.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 179.647g/mol |
| Monoisotopic Mass | 179.05g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number