| CAS Number | 209461-07-4 |
| Catalog Number | AG01A4V7 |
| Chemical Name | 2-(2-Cyanophenoxy)benzoic acid |
| IUPAC Name | 2-(2-cyanophenoxy)benzoic acid |
| InChI | InChI=1S/C14H9NO3/c15-9-10-5-1-3-7-12(10)18-13-8-4-2-6-11(13)14(16)17/h1-8H,(H,16,17) |
| InChI Key | PEMGBOGQMDUJPS-UHFFFAOYSA-N |
| MDL Number | MFCD11529197 |
| Molecular Formula | C14H9NO3 |
| Molecular Weight | 239.2262 |
| SMILES | OC(C1=C(OC2=C(C#N)C=CC=C2)C=CC=C1)=O |
| Synonyms | 2-(2-cyanophenoxy)benzoic acid,
209461-07-4,
SCHEMBL9265794,
ZINC20080603,
AKOS000263866,
MCULE-7842531932,
NE27126,
SEL14822033,
EN300-126895,
Z1613477669,
|
| Complexity | 346 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 239.058g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 239.23g/mol |
| Monoisotopic Mass | 239.058g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number