| CAS Number | 13726-19-7 |
| Catalog Number | AG00130N(AGN-PC-0WD0LR) |
| Chemical Name | 2-(4-Chloro-3-methoxyphenyl)acetic acid |
| IUPAC Name | 2-(4-chloro-3-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H9ClO3/c1-13-8-4-6(5-9(11)12)2-3-7(8)10/h2-4H,5H2,1H3,(H,11,12) |
| InChI Key | HYHHKCKVSWCDHJ-UHFFFAOYSA-N |
| MDL Number | MFCD09924912 |
| Molecular Formula | C9H9ClO3 |
| Molecular Weight | 200.6190 |
| SMILES | COC1=C(Cl)C=CC(CC(O)=O)=C1 |
| Synonyms | 13726-19-7,
2-(4-Chloro-3-methoxyphenyl)acetic acid,
(4-Chloro-3-methoxyphenyl)acetic acid,
Benzeneacetic acid, 4-chloro-3-methoxy-,
SCHEMBL586214,
DTXSID50608116,
HYHHKCKVSWCDHJ-UHFFFAOYSA-N,
6562AA,
MFCD09924912,
ZINC19974312,
4-Chloro-3-methoxyphenyl-acetic acid,
AKOS016009135,
AJ-75853,
Z2235810242,
C9H9ClO3,
2-(4-Chloro-3-methoxyphenyl)aceticacid,
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| Complexity | 184 |
| 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 | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number