| CAS Number | 339016-67-0 |
| Catalog Number | AG00IVKJ(AGN-PC-0K5VT2) |
| Chemical Name | 4-methoxy-2-phenoxynicotinonitrile |
| IUPAC Name | 4-methoxy-2-phenoxypyridine-3-carbonitrile |
| InChI | InChI=1S/C13H10N2O2/c1-16-12-7-8-15-13(11(12)9-14)17-10-5-3-2-4-6-10/h2-8H,1H3 |
| InChI Key | AYKVTTDUUVLXPI-UHFFFAOYSA-N |
| MDL Number | MFCD00975465 |
| Molecular Formula | C13H10N2O2 |
| Molecular Weight | 226.2307 |
| SMILES | O(C1(=NC=CC(=C1C#N)OC))C2(=CC=CC=C2) |
| Synonyms | 4-methoxy-2-phenoxynicotinonitrile,
4-methoxy-2-phenoxypyridine-3-carbonitrile,
339016-67-0,
MLS000326260,
AC1LS998,
SCHEMBL1314187,
CHEMBL1545201,
KS-00001ZHF,
AYKVTTDUUVLXPI-UHFFFAOYSA-N,
HMS2475P14,
ZINC1398094,
MFCD00975465,
AKOS005100923,
MCULE-4331244914,
SMR000178872,
7M-028,
CID1484343,
|
| Complexity | 280 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 226.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 226.235g/mol |
| Monoisotopic Mass | 226.074g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 55.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number