| CAS Number | 943118-88-5 |
| Catalog Number | AG00II1Y(AGN-PC-0WOKSI) |
| Chemical Name | Methyl 1-(2-chlorophenyl)cyclopropanecarboxylate |
| IUPAC Name | methyl 1-(2-chlorophenyl)cyclopropane-1-carboxylate |
| InChI | InChI=1S/C11H11ClO2/c1-14-10(13)11(6-7-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3 |
| InChI Key | SNTYXFDCYIKTGB-UHFFFAOYSA-N |
| MDL Number | MFCD11042234 |
| Molecular Formula | C11H11ClO2 |
| Molecular Weight | 210.6568 |
| SMILES | COC(=O)C1(CC1)c1ccccc1Cl |
| Synonyms | 943118-88-5,
Methyl 1-(2-chlorophenyl)cyclopropanecarboxylate,
methyl1-(2-chlorophenyl)cyclopropanecarboxylate,
MFCD11042234,
ZINC15014928,
AKOS000348669,
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| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.657g/mol |
| Monoisotopic Mass | 210.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
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