| CAS Number | 1201935-85-4 |
| Catalog Number | AG00HFAH(AGN-PC-0WBELI) |
| Chemical Name | 3-methoxy-1-methyl-4-nitropyrazole |
| IUPAC Name | 3-methoxy-1-methyl-4-nitropyrazole |
| InChI | InChI=1S/C5H7N3O3/c1-7-3-4(8(9)10)5(6-7)11-2/h3H,1-2H3 |
| InChI Key | PQCDQLCMCVXEHN-UHFFFAOYSA-N |
| MDL Number | MFCD25371334 |
| Molecular Formula | C5H7N3O3 |
| Molecular Weight | 157.1274 |
| SMILES | COC1=NN(C=C1[N+](=O)[O-])C |
| Synonyms | 3-methoxy-1-methyl-4-nitro-1H-pyrazole,
1201935-85-4,
3-methoxy-1-methyl-4-nitropyrazole,
SCHEMBL2184302,
PQCDQLCMCVXEHN-UHFFFAOYSA-N,
MFCD25371334,
STL415235,
ZINC95098479,
AKOS024398552,
MCULE-6043868420,
CS-0036554,
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| Complexity | 158 |
| 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 | 1 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.4 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number