| CAS Number | 1281803-67-5 |
| Catalog Number | AG01A39R |
| Chemical Name | 3-Chloro-4-(2-cyanophenoxy)benzoic acid |
| IUPAC Name | 3-chloro-4-(2-cyanophenoxy)benzoic acid |
| InChI | InChI=1S/C14H8ClNO3/c15-11-7-9(14(17)18)5-6-13(11)19-12-4-2-1-3-10(12)8-16/h1-7H,(H,17,18) |
| InChI Key | FLWFXICVOGXLHF-UHFFFAOYSA-N |
| MDL Number | MFCD16385559 |
| Molecular Formula | C14H8ClNO3 |
| Molecular Weight | 273.6712 |
| SMILES | OC(C1=CC(Cl)=C(OC2=C(C#N)C=CC=C2)C=C1)=O |
| Synonyms | 3-chloro-4-(2-cyanophenoxy)benzoic acid,
1281803-67-5,
SCHEMBL14967107,
FLWFXICVOGXLHF-UHFFFAOYSA-N,
ZINC48803794,
AKOS010655969,
MCULE-7272509424,
NE38252,
ABA-8645982,
EN300-120676,
Z1569709212,
|
| Complexity | 378 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 273.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 273.672g/mol |
| Monoisotopic Mass | 273.019g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number