| CAS Number | 6834-51-1 |
| Catalog Number | AG01AUT4(AGN-PC-00NE4Q) |
| Chemical Name | 2-(2-Chloro-3,4-dimethoxyphenyl)acetic acid |
| IUPAC Name | 2-(2-chloro-3,4-dimethoxyphenyl)acetic acid |
| InChI | InChI=1S/C10H11ClO4/c1-14-7-4-3-6(5-8(12)13)9(11)10(7)15-2/h3-4H,5H2,1-2H3,(H,12,13) |
| InChI Key | RAMSELFCQDNGKU-UHFFFAOYSA-N |
| MDL Number | MFCD21606658 |
| Molecular Formula | C10H11ClO4 |
| Molecular Weight | 230.6449 |
| SMILES | COC1=C(OC)C(Cl)=C(CC(O)=O)C=C1 |
| Synonyms | 2-(2-chloro-3,4-dimethoxyphenyl)acetic acid,
6834-51-1,
SCHEMBL10622242,
GEO-04029,
MFCD21606658,
ZINC82297353,
AKOS018361601,
AS-9736,
AM806919,
Benzeneacetic acid, 2-chloro-3,4-dimethoxy-,
2-(2-Chloro-3,4-dimethoxyphenyl) acetic acid,
Z2235791474,
|
| Complexity | 222 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 230.035g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 230.644g/mol |
| Monoisotopic Mass | 230.035g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number