| CAS Number | 518978-12-6 |
| Catalog Number | AG01BH8Z(AGN-PC-0LH0F6) |
| Chemical Name | 2-(Benzyloxy)-3,5-dichlorobenzoic acid |
| IUPAC Name | 3,5-dichloro-2-phenylmethoxybenzoic acid |
| InChI | InChI=1S/C14H10Cl2O3/c15-10-6-11(14(17)18)13(12(16)7-10)19-8-9-4-2-1-3-5-9/h1-7H,8H2,(H,17,18) |
| InChI Key | BELMZDGADRSOPN-UHFFFAOYSA-N |
| MDL Number | MFCD04542750 |
| Molecular Formula | C14H10Cl2O3 |
| Molecular Weight | 297.1334 |
| SMILES | OC(C1=C(OCC2=CC=CC=C2)C(Cl)=CC(Cl)=C1)=O |
| Synonyms | 2-(benzyloxy)-3,5-dichlorobenzoic acid,
518978-12-6,
AC1NHQTI,
ZINC6889853,
AKOS000291559,
3,5-dichloro-2-phenylmethoxybenzoic acid,
2-benzyloxy-3,5-dichloro-benzoic acid,
CID4769613,
3,5-dichloro-2-phenylmethoxy-benzoic Acid,
|
| Complexity | 305 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 296.001g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 297.131g/mol |
| Monoisotopic Mass | 296.001g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number