Ethyl 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate - CAS 1006951-36-5
Catalog: |
BB048475 |
Product Name: |
Ethyl 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate |
CAS: |
1006951-36-5 |
Synonyms: |
ethyl 2-(5-methyl-3-nitropyrazolyl)propanoate; 2-(5-Methyl-3-nitro-pyrazol-1-yl)-propionic acid ethyl ester; 1H-Pyrazole-1-acetic acid, α,5-dimethyl-3-nitro-, ethyl ester |
IUPAC Name: | ethyl 2-(5-methyl-3-nitropyrazol-1-yl)propanoate |
Description: | Ethyl 2-(5-methyl-3-nitro-1H-pyrazol-1-yl)propanoate (CAS# 1006951-36-5 ) is a useful research chemical. |
Molecular Weight: | 227.22 |
Molecular Formula: | C9H13N3O4 |
Canonical SMILES: | CCOC(=O)C(C)N1C(=CC(=N1)[N+](=O)[O-])C |
InChI: | InChI=1S/C9H13N3O4/c1-4-16-9(13)7(3)11-6(2)5-8(10-11)12(14)15/h5,7H,4H2,1-3H3 |
InChI Key: | PFQXEXHEZQITFU-UHFFFAOYSA-N |
Boiling Point: | 344.8±32.0 °C at 760 mmHg |
Density: | 1.3±0.1 g/cm3 |
Complexity: | 278 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 227.0906059 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 227.0906059 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89.9 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.6 |
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