| CAS Number | 1423029-72-4 |
| Catalog Number | AG019VMZ |
| Chemical Name | 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]acetamide |
| IUPAC Name | 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]acetamide |
| InChI | InChI=1S/C11H13ClN2O3/c1-8(13(2)11(15)7-12)9-4-3-5-10(6-9)14(16)17/h3-6,8H,7H2,1-2H3 |
| InChI Key | YJNXCBZPMBAIPU-UHFFFAOYSA-N |
| MDL Number | MFCD22421921 |
| Molecular Formula | C11H13ClN2O3 |
| Molecular Weight | 256.6855 |
| SMILES | CC(C1=CC([N+]([O-])=O)=CC=C1)N(C(CCl)=O)C |
| Synonyms | 2-chloro-N-methyl-N-[1-(3-nitrophenyl)ethyl]acetamide,
1423029-72-4,
NE58805,
|
| Complexity | 293 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.686g/mol |
| Monoisotopic Mass | 256.061g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 66.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number