| CAS Number | 916596-02-6 |
| Catalog Number | AG00H159(AGN-PC-05399Z) |
| Chemical Name | 3-Chloro-4-ethoxybenzonitrile |
| IUPAC Name | 3-chloro-4-ethoxybenzonitrile |
| InChI | InChI=1S/C9H8ClNO/c1-2-12-9-4-3-7(6-11)5-8(9)10/h3-5H,2H2,1H3 |
| InChI Key | XEOUAHORYSGJPD-UHFFFAOYSA-N |
| MDL Number | MFCD10666511 |
| Molecular Formula | C9H8ClNO |
| Molecular Weight | 181.6189 |
| SMILES | CCOC1=C(Cl)C=C(C=C1)C#N |
| Synonyms | 3-Chloro-4-ethoxybenzonitrile,
916596-02-6,
3-Chloro-4-ethoxy-benzonitrile,
CTK8C4155,
DTXSID40649715,
ACT13134,
5446AC,
ANW-71141,
MFCD10666511,
ZINC12943682,
AKOS000113903,
MCULE-7747667985,
AJ-63094,
TC-159886,
BB 0244148,
C9H8ClNO,
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| 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 | 3.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number