| CAS Number | 1252760-19-2 |
| Catalog Number | AG01BH1O(AGN-PC-0WOSQ9) |
| Chemical Name | 1-(4-Chlorophenoxy)cyclopropane-1-carboxylic acid |
| IUPAC Name | 1-(4-chlorophenoxy)cyclopropane-1-carboxylic acid |
| InChI | InChI=1S/C10H9ClO3/c11-7-1-3-8(4-2-7)14-10(5-6-10)9(12)13/h1-4H,5-6H2,(H,12,13) |
| InChI Key | BVOVUSTVSOEJLN-UHFFFAOYSA-N |
| MDL Number | MFCD22420983 |
| Molecular Formula | C10H9ClO3 |
| Molecular Weight | 212.6297 |
| SMILES | OC(C1(OC2=CC=C(Cl)C=C2)CC1)=O |
| Synonyms | 1252760-19-2,
1-(4-chlorophenoxy)cyclopropane-1-carboxylic acid,
1-(4-Chlorophenoxy)cyclopropanecarboxylic acid,
SCHEMBL697540,
ZINC85392773,
AKOS026742633,
Z2009977230,
1-(4-chloro-phenoxy)-cyclopropanecarboxylic acid,
|
| Complexity | 230 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 212.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 212.629g/mol |
| Monoisotopic Mass | 212.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 46.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number