| CAS Number | 1403483-77-1 |
| Catalog Number | AG009X4N(AGN-PC-0WAE7Q) |
| Chemical Name | N-(2-Chloro-6-methoxycarbonylphenyl)methyl phthamide |
| IUPAC Name | methyl 3-chloro-2-[(1,3-dioxoisoindol-2-yl)methyl]benzoate |
| InChI | InChI=1S/C17H12ClNO4/c1-23-17(22)12-7-4-8-14(18)13(12)9-19-15(20)10-5-2-3-6-11(10)16(19)21/h2-8H,9H2,1H3 |
| InChI Key | MZUPYWJJMSUZBR-UHFFFAOYSA-N |
| MDL Number | MFCD22549333 |
| Molecular Formula | C17H12ClNO4 |
| Molecular Weight | 329.7345 |
| SMILES | COC(=O)c1cccc(c1CN1C(=O)c2c(C1=O)cccc2)Cl |
| Synonyms | 1403483-77-1,
N-(2-Chloro-6-methoxycarbonylphenyl)methyl phthamide,
C17H12ClNO4,
Methyl 3-chloro-2-((1,3-dioxoisoindolin-2-yl)methyl)benzoate,
ZINC95218052,
AKOS027253120,
V3073,
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| Complexity | 485 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 329.045g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 23 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 329.736g/mol |
| Monoisotopic Mass | 329.045g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 63.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number