| CAS Number | 1414029-18-7 |
| Catalog Number | AG009WSK(AGN-PC-0WADS4) |
| Chemical Name | Methyl 2-chloro-4-(furan-2-yl)benzoate |
| IUPAC Name | methyl 2-chloro-4-(furan-2-yl)benzoate |
| InChI | InChI=1S/C12H9ClO3/c1-15-12(14)9-5-4-8(7-10(9)13)11-3-2-6-16-11/h2-7H,1H3 |
| InChI Key | QVPUCWHMEKRYQN-UHFFFAOYSA-N |
| MDL Number | MFCD22574955 |
| Molecular Formula | C12H9ClO3 |
| Molecular Weight | 236.6511 |
| SMILES | O=C(OC)C1=CC=C(C2=CC=CO2)C=C1Cl |
| Synonyms | METHYL 2-CHLORO-4-(FURAN-2-YL)BENZOATE,
1414029-18-7,
KM4051,
ZINC95218060,
AKOS027362922,
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| Complexity | 257 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 236.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 236.651g/mol |
| Monoisotopic Mass | 236.024g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 39.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.1 |
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Certificate of Analysis
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