| CAS Number | 201480-94-6 |
| Catalog Number | AG00IQMC(AGN-PC-0WAW3E) |
| Chemical Name | Methyl 4-(4-cyanophenoxy)benzoate |
| IUPAC Name | methyl 4-(4-cyanophenoxy)benzoate |
| InChI | InChI=1S/C15H11NO3/c1-18-15(17)12-4-8-14(9-5-12)19-13-6-2-11(10-16)3-7-13/h2-9H,1H3 |
| InChI Key | ALQLCHDVYMZVJA-UHFFFAOYSA-N |
| MDL Number | MFCD00187762 |
| Molecular Formula | C15H11NO3 |
| Molecular Weight | 253.2527 |
| SMILES | O=C(OC)C1=CC=C(OC2=CC=C(C#N)C=C2)C=C1 |
| Synonyms | methyl 4-(4-cyanophenoxy)benzoate,
201480-94-6,
4-(4-Cyano-phenoxy)-benzoic acid methyl ester,
BAS 00090370,
AC1LG4V1,
Oprea1_170430,
Oprea1_611908,
SCHEMBL8229744,
KS-00001ZNQ,
ZINC240453,
AKOS000733238,
MCULE-9886791154,
4-(4-Cyanophenoxy)benzoic acid methyl ester,
EU-0067241,
ST50000128,
7P-023,
AB00074739-01,
SR-01000392383,
SR-01000392383-1,
CID765196,
|
| Complexity | 344 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.074g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.257g/mol |
| Monoisotopic Mass | 253.074g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 59.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number