2-Acetyl-5-nitropyrrole - CAS 32116-25-9
Catalog: |
BB061217 |
Product Name: |
2-Acetyl-5-nitropyrrole |
CAS: |
32116-25-9 |
Synonyms: |
2-Acetyl-5-nitropyrrole; 1-(5-nitro-1H-pyrrol-2-yl)ethanone; Ethanone, 1-(5-nitro-1H-pyrrol-2-yl)-; Pyrrole, 2-acetyl-5-nitro-; KETONE, METHYL (5-NITRO-2-PYRROLYL); 2-Nitro-5-acetyl-1H-pyrrole |
IUPAC Name: | 1-(5-nitro-1H-pyrrol-2-yl)ethanone |
Molecular Weight: | 154.12 |
Molecular Formula: | C6H6N2O3 |
Canonical SMILES: | CC(=O)C1=CC=C(N1)[N+](=O)[O-] |
InChI: | InChI=1S/C6H6N2O3/c1-4(9)5-2-3-6(7-5)8(10)11/h2-3,7H,1H3 |
InChI Key: | LIJJWPMRFYFJFR-UHFFFAOYSA-N |
Complexity: | 187 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 154.03784206 |
Formal Charge: | 0 |
Heavy Atom Count: | 11 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 154.03784206 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 78.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.9 |
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