| CAS Number | 214327-89-6 |
| Catalog Number | AG019KVQ |
| Chemical Name | Methyl 3,5-dichloro-2-[(chloroacetyl)amino]benzoate |
| IUPAC Name | methyl 3,5-dichloro-2-[(2-chloroacetyl)amino]benzoate |
| InChI | InChI=1S/C10H8Cl3NO3/c1-17-10(16)6-2-5(12)3-7(13)9(6)14-8(15)4-11/h2-3H,4H2,1H3,(H,14,15) |
| InChI Key | BQUHWTMYNAGXFV-UHFFFAOYSA-N |
| MDL Number | MFCD09802062 |
| Molecular Formula | C10H8Cl3NO3 |
| Molecular Weight | 296.5344 |
| SMILES | COC(C1=C(NC(CCl)=O)C(Cl)=CC(Cl)=C1)=O |
| Synonyms | methyl 3,5-dichloro-2-(2-chloroacetamido)benzoate,
214327-89-6,
methyl 3,5-dichloro-2-[(chloroacetyl)amino]benzoate,
AC1Q42NJ,
SCHEMBL7461289,
CTK6H5324,
ZINC12505802,
AKOS030740559,
MCULE-4561866517,
NE29498,
UPCMLD0ENAT5988943:001,
EN300-28677,
|
| Complexity | 301 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 294.957g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 296.528g/mol |
| Monoisotopic Mass | 294.957g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 55.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.4 |
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Certificate of Analysis
Lot Number