| CAS Number | 69849-08-7 |
| Catalog Number | AG00FGN3(AGN-PC-0TX35T) |
| Chemical Name | 2-(2-Chlorophenyl)-2-methylpropanenitrile |
| IUPAC Name | 2-(2-chlorophenyl)-2-methylpropanenitrile |
| InChI | InChI=1S/C10H10ClN/c1-10(2,7-12)8-5-3-4-6-9(8)11/h3-6H,1-2H3 |
| InChI Key | OLLIGTNPTVJPAX-UHFFFAOYSA-N |
| MDL Number | MFCD11036574 |
| Molecular Formula | C10H10ClN |
| Molecular Weight | 179.6461 |
| SMILES | CC(C1=C(Cl)C=CC=C1)(C#N)C |
| Synonyms | 2-(2-chlorophenyl)-2-methylpropanenitrile,
69849-08-7,
SCHEMBL1605524,
OLLIGTNPTVJPAX-UHFFFAOYSA-N,
ZINC44268954,
AKOS011055381,
NE27631,
CS-0060021,
alpha,alpha-Dimethyl-2-chlorobenzeneacetonitrile,
Benzeneacetonitrile, 2-chloro-alpha,alpha-dimethyl-,
CID9815403,
2-(2-chlorophenyl)-2-methyl-propanenitrile,
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| Complexity | 201 |
| 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 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number