| CAS Number | 85020-82-2 |
| Catalog Number | AG01EHCK(AGN-PC-0WD8H5) |
| Chemical Name | 1-[2-(Methylamino)-5-nitrophenyl]ethanone |
| IUPAC Name | 1-[2-(methylamino)-5-nitrophenyl]ethanone |
| InChI | InChI=1S/C9H10N2O3/c1-6(12)8-5-7(11(13)14)3-4-9(8)10-2/h3-5,10H,1-2H3 |
| InChI Key | YKFLNXHRTOOEQH-UHFFFAOYSA-N |
| MDL Number | MFCD27987142 |
| Molecular Formula | C9H10N2O3 |
| Molecular Weight | 194.1873 |
| SMILES | CNc1ccc(cc1C(=O)C)[N+](=O)[O-] |
| Synonyms | 1-(2-(Methylamino)-5-nitrophenyl)ethanone,
85020-82-2,
1-[2-(METHYLAMINO)-5-NITROPHENYL]ETHANONE,
ZINC95934507,
AKOS030238311,
FCH3820896,
AX8264221,
1-[2-(methylamino)-5-nitrophenyl]ethan-1-one,
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| Complexity | 237 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.19g/mol |
| Monoisotopic Mass | 194.069g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 74.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number