| CAS Number | 90178-72-6 |
| Catalog Number | AG00H5VI(AGN-PC-00LMV4) |
| Chemical Name | Benzonitrile, 4-(3-formylphenoxy)- |
| IUPAC Name | 4-(3-formylphenoxy)benzonitrile |
| InChI | InChI=1S/C14H9NO2/c15-9-11-4-6-13(7-5-11)17-14-3-1-2-12(8-14)10-16/h1-8,10H |
| InChI Key | ZNFFJDNCDHKHEJ-UHFFFAOYSA-N |
| MDL Number | MFCD11500847 |
| Molecular Formula | C14H9NO2 |
| Molecular Weight | 223.2268 |
| SMILES | c1cc(cc(c1)Oc2ccc(cc2)C#N)C=O |
| Synonyms | 4-(3-Formylphenoxy)benzonitrile,
90178-72-6,
Benzonitrile, 4-(3-formylphenoxy)-,
SCHEMBL4104432,
CTK3I3553,
KS-00000TWS,
DTXSID50531091,
ZNFFJDNCDHKHEJ-UHFFFAOYSA-N,
4-(3-Formyl-phenoxy)-benzonitrile,
MFCD11500847,
ZINC39432007,
AK550299,
DS-19532,
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| Complexity | 299 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.063g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.231g/mol |
| Monoisotopic Mass | 223.063g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^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