| CAS Number | 472810-33-6 |
| Catalog Number | AG00I8MF(AGN-PC-0WR9ZF) |
| Chemical Name | methyl 2-chloro-4-phenylbenzoate |
| IUPAC Name | methyl 2-chloro-4-phenylbenzoate |
| InChI | InChI=1S/C14H11ClO2/c1-17-14(16)12-8-7-11(9-13(12)15)10-5-3-2-4-6-10/h2-9H,1H3 |
| InChI Key | DYTXGXKGEPJADU-UHFFFAOYSA-N |
| MDL Number | MFCD27578517 |
| Molecular Formula | C14H11ClO2 |
| Molecular Weight | 246.6889 |
| SMILES | COC(=O)c1ccc(cc1Cl)c1ccccc1 |
| Synonyms | methyl 2-chloro-4-phenylbenzoate,
472810-33-6,
SCHEMBL6502082,
DYTXGXKGEPJADU-UHFFFAOYSA-N,
ZINC97756958,
methyl 3-chlorobiphenyl-4-carboxylate,
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| Complexity | 261 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.69g/mol |
| Monoisotopic Mass | 246.045g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 26.3A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number