| CAS Number | 1339619-68-9 |
| Catalog Number | AG00HT3V(AGN-PC-0WG46Q) |
| Chemical Name | N-methyl-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| IUPAC Name | N-methyl-2-(4-nitropyrazol-1-yl)acetamide |
| InChI | InChI=1S/C6H8N4O3/c1-7-6(11)4-9-3-5(2-8-9)10(12)13/h2-3H,4H2,1H3,(H,7,11) |
| InChI Key | WMLQHWGCESQYGM-UHFFFAOYSA-N |
| MDL Number | MFCD19596794 |
| Molecular Formula | C6H8N4O3 |
| Molecular Weight | 184.1527 |
| SMILES | CNC(=O)Cn1cc(cn1)[N+]([O-])=O |
| Synonyms | N-methyl-2-(4-nitro-1H-pyrazol-1-yl)acetamide,
1339619-68-9,
SCHEMBL14663780,
WMLQHWGCESQYGM-UHFFFAOYSA-N,
MFCD19596794,
ZINC70187234,
AKOS009162792,
DA-11995,
N-methyl-2-(4-nitropyrazol-1-yl)acetamide,
CS-0038024,
FT-0737582,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 184.06g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 184.155g/mol |
| Monoisotopic Mass | 184.06g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 92.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number