| CAS Number | 1415819-81-6 |
| Catalog Number | AG009X87(AGN-PC-0WADTW) |
| Chemical Name | Methyl 3-[2-(dimethylamino)phenyl]benzoate |
| IUPAC Name | methyl 3-[2-(dimethylamino)phenyl]benzoate |
| InChI | InChI=1S/C16H17NO2/c1-17(2)15-10-5-4-9-14(15)12-7-6-8-13(11-12)16(18)19-3/h4-11H,1-3H3 |
| InChI Key | TWVRVUNYRUWXEZ-UHFFFAOYSA-N |
| MDL Number | MFCD22586703 |
| Molecular Formula | C16H17NO2 |
| Molecular Weight | 255.3117 |
| SMILES | COC(=O)c1cccc(c1)c1ccccc1N(C)C |
| Synonyms | METHYL 3-[2-(DIMETHYLAMINO)PHENYL]BENZOATE,
1415819-81-6,
Methyl 2'-(dimethylamino)-[1,1'-biphenyl]-3-carboxylate,
KM5768,
ZINC95495515,
AKOS027295346,
V3111,
C16H17NO2,
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| Complexity | 303 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 255.126g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 255.317g/mol |
| Monoisotopic Mass | 255.126g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 29.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number