| CAS Number | 1355247-89-0 |
| Catalog Number | AG009WKM(AGN-PC-0J2C5A) |
| Chemical Name | Methyl 4-(3-chloro-4-cyanophenyl)benzoate |
| IUPAC Name | methyl 4-(3-chloro-4-cyanophenyl)benzoate |
| InChI | InChI=1S/C15H10ClNO2/c1-19-15(18)11-4-2-10(3-5-11)12-6-7-13(9-17)14(16)8-12/h2-8H,1H3 |
| InChI Key | UZKKNFVNRRMTGV-UHFFFAOYSA-N |
| MDL Number | MFCD21333026 |
| Molecular Formula | C15H10ClNO2 |
| Molecular Weight | 271.6984 |
| SMILES | COC(=O)c1ccc(cc1)c1ccc(c(c1)Cl)C#N |
| Synonyms | 1355247-89-0,
Methyl 3'-chloro-4'-cyano-[1,1'-biphenyl]-4-carboxylate,
Methyl 4-(3-chloro-4-cyanophenyl)benzoate,
ACMC-209c2r,
CTK8B0416,
DTXSID80742794,
6352AA,
ANW-19921,
MFCD21333026,
ZINC85210214,
CJ-22273,
AJ-126483,
AX8243349,
TC-108666,
B-8578,
Methyl 3'-chloro-4'-cyano[1,1'-biphenyl]-4-carboxylate,
C15H10ClNO2,
Methyl3'-chloro-4'-cyano-[1,1'-biphenyl]-4-carboxylate,
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| Complexity | 368 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 271.04g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 271.7g/mol |
| Monoisotopic Mass | 271.04g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 50.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number