| CAS Number | 948570-75-0 |
| Catalog Number | AG00IILH(AGN-PC-0WG5X4) |
| Chemical Name | 1-(2-Methoxyethyl)-4-nitropyrazole |
| IUPAC Name | 1-(2-methoxyethyl)-4-nitropyrazole |
| InChI | InChI=1S/C6H9N3O3/c1-12-3-2-8-5-6(4-7-8)9(10)11/h4-5H,2-3H2,1H3 |
| InChI Key | SGZBZPUTFUMZBQ-UHFFFAOYSA-N |
| MDL Number | MFCD02755678 |
| Molecular Formula | C6H9N3O3 |
| Molecular Weight | 171.1540 |
| SMILES | COCCN1C=C(C=N1)[N+](=O)[O-] |
| Synonyms | 1-(2-Methoxyethyl)-4-nitro-1H-pyrazole,
948570-75-0,
1H-Pyrazole, 1-(2-methoxyethyl)-4-nitro-,
1-(2-methoxyethyl)-4-nitropyrazole,
SCHEMBL2173500,
SGZBZPUTFUMZBQ-UHFFFAOYSA-N,
KS-00001N8Y,
KM3319,
MFCD02755678,
ZINC71978634,
AK202787,
DS-10308,
COCCN1C=C(C=N1)[N+]([O-])=O,
FT-0733390,
V9483,
C6H9N3O3,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.156g/mol |
| Monoisotopic Mass | 171.064g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.2 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302-H315-H320-H335
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Packing Group
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Precautionary statements
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P261-P280-P301+P312-P302+P352-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number