Methyl 3-(4-bromo-3-nitropyrazolyl)propanoate - CAS 1006994-38-2
Catalog: |
BB047792 |
Product Name: |
Methyl 3-(4-bromo-3-nitropyrazolyl)propanoate |
CAS: |
1006994-38-2 |
Synonyms: |
methyl 3-(4-bromo-3-nitro-1H-pyrazol-1-yl)propanoate |
IUPAC Name: | methyl 3-(4-bromo-3-nitropyrazol-1-yl)propanoate |
Description: | Methyl 3-(4-bromo-3-nitropyrazolyl)propanoate (CAS# 1006994-38-2 ) is a useful research chemical. |
Molecular Weight: | 278.06 |
Molecular Formula: | C7H8BrN3O4 |
Canonical SMILES: | COC(=O)CCN1C=C(C(=N1)[N+](=O)[O-])Br |
InChI: | InChI=1S/C7H8BrN3O4/c1-15-6(12)2-3-10-4-5(8)7(9-10)11(13)14/h4H,2-3H2,1H3 |
InChI Key: | JOZUFBDURKCLCH-UHFFFAOYSA-N |
Complexity: | 257 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 276.96982 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 276.96982 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 89.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.8 |
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