| CAS Number | 119205-37-7 |
| Catalog Number | AG0093V6(AGN-PC-088HRY) |
| Chemical Name | 2-Chlorocyclohex-1-ene-1-carbonitrile |
| IUPAC Name | 2-chlorocyclohexene-1-carbonitrile |
| InChI | InChI=1S/C7H8ClN/c8-7-4-2-1-3-6(7)5-9/h1-4H2 |
| InChI Key | AFMPUGDGNQTHOQ-UHFFFAOYSA-N |
| MDL Number | MFCD11502628 |
| Molecular Formula | C7H8ClN |
| Molecular Weight | 141.5981 |
| SMILES | ClC1CCCCC=1C#N |
| Synonyms | 2-chlorocyclohex-1-ene-1-carbonitrile,
119205-37-7,
2-Chlorocyclohex-1-enecarbonitrile,
SCHEMBL119984,
AFMPUGDGNQTHOQ-UHFFFAOYSA-N,
2-Chloro-cyclohex-1-enecarbonitrile,
MFCD11502628,
ZINC43214880,
2-chloro-1-cyclohexene-1-carbonitrile,
AKOS026727969,
NE51032,
AS-37225,
EN300-84516,
Z1255523347,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 141.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 9 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 141.598g/mol |
| Monoisotopic Mass | 141.035g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 23.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number