| CAS Number | 90348-69-9 |
| Catalog Number | AG00IG3T(AGN-PC-0WRA5R) |
| Chemical Name | (3,5-Dichloro-2-methoxyphenyl)acetic acid |
| IUPAC Name | 2-(3,5-dichloro-2-methoxyphenyl)acetic acid |
| InChI | InChI=1S/C9H8Cl2O3/c1-14-9-5(3-8(12)13)2-6(10)4-7(9)11/h2,4H,3H2,1H3,(H,12,13) |
| InChI Key | SCCIRTQIRBQPBT-UHFFFAOYSA-N |
| MDL Number | MFCD02664776 |
| Molecular Formula | C9H8Cl2O3 |
| Molecular Weight | 235.0640 |
| SMILES | ClC=1C(=C(C=C(C1)Cl)CC(=O)O)OC |
| Synonyms | (3,5-dichloro-2-methoxyphenyl)acetic acid,
2-(3,5-dichloro-2-methoxyphenyl)acetic acid,
90348-69-9,
AC1N6KRW,
SCHEMBL11125228,
PAA-0123,
ZINC3750815,
ZX-BK002606,
BBL021815,
MFCD02664776,
STK894532,
AKOS005144423,
FCH1334314,
MCULE-6101287662,
H8850,
CID4261575,
2-(3,5-dichloro-2-methoxy-phenyl)acetic Acid,
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| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 233.985g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 235.06g/mol |
| Monoisotopic Mass | 233.985g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.6 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number