| CAS Number | 76075-79-1 |
| Catalog Number | AG005G7P(AGN-PC-0U8WTD) |
| Chemical Name | 2-(4-Chlorophenoxy)-3-methylbutanoic acid |
| IUPAC Name | 2-(4-chlorophenoxy)-3-methylbutanoic acid |
| InChI | InChI=1S/C11H13ClO3/c1-7(2)10(11(13)14)15-9-5-3-8(12)4-6-9/h3-7,10H,1-2H3,(H,13,14) |
| InChI Key | YIDWVTSSFOIVPL-UHFFFAOYSA-N |
| MDL Number | MFCD05863710 |
| Molecular Formula | C11H13ClO3 |
| Molecular Weight | 228.6721 |
| SMILES | CC(C(C(=O)O)Oc1ccc(cc1)Cl)C |
| Synonyms | 2-(4-chlorophenoxy)-3-methylbutanoic acid,
76075-79-1,
AC1NO279,
SCHEMBL10540133,
CTK5E2440,
DTXSID90408617,
MFCD05863710,
AKOS000198822,
AKOS022184559,
FT-0714492,
Y-1892,
Z216547622,
2- -3-methylbutanoicacid,
CID5131077,
2-(4-chlorophenoxy)-3-methyl-butanoic 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 | 228.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.672g/mol |
| Monoisotopic Mass | 228.055g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number