| CAS Number | 83663-87-0 |
| Catalog Number | AG019ZQC(AGN-PC-02V0ML) |
| Chemical Name | 4-(cyanomethoxy)benzonitrile |
| IUPAC Name | 4-(cyanomethoxy)benzonitrile |
| InChI | InChI=1S/C9H6N2O/c10-5-6-12-9-3-1-8(7-11)2-4-9/h1-4H,6H2 |
| InChI Key | QOWBBBGCACYSHD-UHFFFAOYSA-N |
| MDL Number | MFCD09940992 |
| Molecular Formula | C9H6N2O |
| Molecular Weight | 158.1567 |
| SMILES | N#CCOC1=CC=C(C#N)C=C1 |
| Synonyms | 4-(cyanomethoxy)benzonitrile,
83663-87-0,
2-(4-Cyano-phenoxy)acetonitrile,
4-cyanophenoxyacetonitrile,
SCHEMBL6574222,
QOWBBBGCACYSHD-UHFFFAOYSA-N,
4-(cyanomethoxy)benzenecarbonitrile,
ZINC19484352,
AKOS000184483,
MCULE-2688125773,
NE60529,
RP22173,
Z53791879,
|
| Complexity | 223 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 158.048g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 158.16g/mol |
| Monoisotopic Mass | 158.048g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number