| CAS Number | 1275449-85-8 |
| Catalog Number | AG01B2IP |
| Chemical Name | 4-[(3-bromophenyl)methoxy]-3-chlorobenzoic acid |
| IUPAC Name | 4-[(3-bromophenyl)methoxy]-3-chlorobenzoic acid |
| InChI | InChI=1S/C14H10BrClO3/c15-11-3-1-2-9(6-11)8-19-13-5-4-10(14(17)18)7-12(13)16/h1-7H,8H2,(H,17,18) |
| InChI Key | GYPAJNDQPKEBOX-UHFFFAOYSA-N |
| MDL Number | MFCD19106416 |
| Molecular Formula | C14H10BrClO3 |
| Molecular Weight | 341.5844 |
| SMILES | OC(C1=CC(Cl)=C(OCC2=CC(Br)=CC=C2)C=C1)=O |
| Synonyms | 4-[(3-bromophenyl)methoxy]-3-chlorobenzoic acid,
1275449-85-8,
4-[(3-bromobenzyl)oxy]-3-chlorobenzoic acid,
STL481345,
ZINC70139867,
AKOS006035748,
Z2466330670,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 339.95g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 341.585g/mol |
| Monoisotopic Mass | 339.95g/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