| CAS Number | 548473-74-1 |
| Catalog Number | AG01A1L1(AGN-PC-03TTYI) |
| Chemical Name | 4-Chloro-2-ethoxybenzonitrile |
| IUPAC Name | 4-chloro-2-ethoxybenzonitrile |
| InChI | InChI=1S/C9H8ClNO/c1-2-12-9-5-8(10)4-3-7(9)6-11/h3-5H,2H2,1H3 |
| InChI Key | MRSPUXVVGZDCRI-UHFFFAOYSA-N |
| MDL Number | MFCD17290875 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | CCOC1=C(C#N)C=CC(Cl)=C1 |
| Synonyms | 4-chloro-2-ethoxybenzonitrile,
548473-74-1,
NE61879,
Z1425811281,
4-chloro-2-ethoxy-benzonitrile,
SCHEMBL4678021,
MRSPUXVVGZDCRI-UHFFFAOYSA-N,
Benzonitrile, 4-chloro-2-ethoxy-,
STL450174,
ZINC62790145,
AKOS012394796,
MCULE-3099406272,
|
| Complexity | 186 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 181.029g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 181.619g/mol |
| Monoisotopic Mass | 181.029g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 33A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number