| CAS Number | 76574-40-8 |
| Catalog Number | AG01B1BU |
| Chemical Name | 2-(2-Chloro-6-methylphenyl)acetonitrile |
| IUPAC Name | 2-(2-chloro-6-methylphenyl)acetonitrile |
| InChI | InChI=1S/C9H8ClN/c1-7-3-2-4-9(10)8(7)5-6-11/h2-4H,5H2,1H3 |
| InChI Key | QTJQWPCJVQWLHS-UHFFFAOYSA-N |
| MDL Number | MFCD00019828 |
| Molecular Formula | C9H8ClN |
| Molecular Weight | 165.6195 |
| SMILES | CC1=C(CC#N)C(Cl)=CC=C1 |
| Synonyms | 2-chloro-6-methyl-benzylcyanide,
SCHEMBL11114860,
QTJQWPCJVQWLHS-UHFFFAOYSA-N,
2-chloro-6-methylphenylacetonitrile,
ZINC96300463,
AKOS027345910,
FCH1144274,
2-(2-chloro-6-methylphenyl)acetonitrile,
EN300-170809,
76574-40-8,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 165.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 165.62g/mol |
| Monoisotopic Mass | 165.035g/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
Certificate of Analysis
Lot Number