| CAS Number | 438221-04-6 |
| Catalog Number | AG00I8CS(AGN-PC-0WB8YV) |
| Chemical Name | 3-[(4-Chlorophenoxy)methyl]-4-methoxybenzoic acid |
| IUPAC Name | 3-[(4-chlorophenoxy)methyl]-4-methoxybenzoic acid |
| InChI | InChI=1S/C15H13ClO4/c1-19-14-7-2-10(15(17)18)8-11(14)9-20-13-5-3-12(16)4-6-13/h2-8H,9H2,1H3,(H,17,18) |
| InChI Key | GDXSXRIRYUEDOH-UHFFFAOYSA-N |
| MDL Number | MFCD03419428 |
| Molecular Formula | C15H13ClO4 |
| Molecular Weight | 292.7143 |
| SMILES | COC1=C(COC2=CC=C(Cl)C=C2)C=C(C(O)=O)C=C1 |
| Synonyms | 3-[(4-chlorophenoxy)methyl]-4-methoxybenzoic acid,
438221-04-6,
3-((4-Chlorophenoxy)methyl)-4-methoxybenzoic acid,
AC1LNYER,
Oprea1_370388,
AK-968/41170066,
CTK7A6345,
ZINC1009199,
KM4862,
MFCD03419428,
SBB020354,
STK301764,
AKOS000307898,
MCULE-2991396394,
ST45061605,
3-(4-Chloro-phenoxymethyl)-4-methoxy-benzoic acid,
CID1229840,
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| Complexity | 315 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.05g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 292.715g/mol |
| Monoisotopic Mass | 292.05g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 55.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number