| CAS Number | 199274-87-8 |
| Catalog Number | AG00I3ON(AGN-PC-0DADF0) |
| Chemical Name | 1-(Methoxymethyl)-4-nitro-1H-pyrazole |
| IUPAC Name | 1-(methoxymethyl)-4-nitropyrazole |
| InChI | InChI=1S/C5H7N3O3/c1-11-4-7-3-5(2-6-7)8(9)10/h2-3H,4H2,1H3 |
| InChI Key | UURJXYFOASPHQL-UHFFFAOYSA-N |
| MDL Number | MFCD16345427 |
| Molecular Formula | C5H7N3O3 |
| Molecular Weight | 157.1274 |
| SMILES | [O-][N+](=O)c1cn(nc1)COC |
| Synonyms | 1-(Methoxymethyl)-4-nitropyrazole,
199274-87-8,
1-(Methoxymethyl)-4-nitro-1H-pyrazole,
methoxy(4-nitropyrazolyl)methane,
MFCD16345427,
ZINC72334115,
AKOS024299774,
MCULE-1754055123,
SY045097,
ST45255642,
MFCD16345427 (95%),
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| Complexity | 146 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 157.049g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 157.129g/mol |
| Monoisotopic Mass | 157.049g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number