| CAS Number | 812642-71-0 |
| Catalog Number | AG005EYG(AGN-PC-0WAJ1X) |
| Chemical Name | 2-(2-Chloro-4-formylphenoxy)propanoic acid |
| IUPAC Name | 2-(2-chloro-4-formylphenoxy)propanoic acid |
| InChI | InChI=1S/C10H9ClO4/c1-6(10(13)14)15-9-3-2-7(5-12)4-8(9)11/h2-6H,1H3,(H,13,14) |
| InChI Key | SAVVSCSPGUVHDO-UHFFFAOYSA-N |
| MDL Number | MFCD05625233 |
| Molecular Formula | C10H9ClO4 |
| Molecular Weight | 228.6291 |
| SMILES | O(C(C)C(O)=O)C1C=CC(=CC=1Cl)C=O |
| Synonyms | 2-(2-chloro-4-formylphenoxy)propanoic acid,
812642-71-0,
AC1MZGZT,
SCHEMBL2560559,
CTK5E8654,
DTXSID30397672,
CHEMBRDG-BB 6746454,
SP665,
ZX-CM016980,
MFCD05625233,
STL388413,
AKOS000113262,
AKOS017436052,
MCULE-2852300838,
BBV-33351631,
Y-1732,
2-(2-Chloro-4-formylphenoxy)propanoic acid, AldrichCPR,
CHEMBRDG-BB6746454,
CID3872340,
2-(2-chloro-4-formyl-phenoxy)propanoic Acid,
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| Complexity | 244 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.019g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.628g/mol |
| Monoisotopic Mass | 228.019g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number