| CAS Number | 861064-05-3 |
| Catalog Number | AG019V93 |
| Chemical Name | 2-[(2-Chlorophenyl)methoxy]acetic acid |
| IUPAC Name | 2-[(2-chlorophenyl)methoxy]acetic acid |
| InChI | InChI=1S/C9H9ClO3/c10-8-4-2-1-3-7(8)5-13-6-9(11)12/h1-4H,5-6H2,(H,11,12) |
| InChI Key | ZWGATQDJKOQNJS-UHFFFAOYSA-N |
| MDL Number | MFCD09937627 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | OC(COCC1=C(Cl)C=CC=C1)=O |
| Synonyms | 2-[(2-chlorophenyl)methoxy]acetic acid,
861064-05-3,
(2-chloro-benzyloxy)-acetic acid,
SCHEMBL323367,
CTK7J5561,
AC1Q7683,
ZINC19475997,
AKOS000179965,
MCULE-5182686332,
NE39324,
NCGC00339307-01,
EN300-44128,
AB01331890-02,
Z451350278,
|
| Complexity | 172 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.618g/mol |
| Monoisotopic Mass | 200.024g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.8 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number