5-Bromo-1-methyl-1h-pyrazin-2-one - CAS 1243288-53-0
Catalog: |
BB071343 |
Product Name: |
5-Bromo-1-methyl-1h-pyrazin-2-one |
CAS: |
1243288-53-0 |
Synonyms: |
5-BROMO-1-METHYL-1H-PYRAZIN-2-ONE; 5-Bromo-1-methylpyrazin-2(1H)-one; 5-bromo-1-methylpyrazin-2-one; 5-BROMO-1-METHYL-1,2-DIHYDROPYRAZIN-2-ONE |
IUPAC Name: | 5-bromo-1-methylpyrazin-2-one |
Description: | 5-Bromo-1-methyl-1h-pyrazin-2-one |
Molecular Weight: | 189.01 |
Molecular Formula: | C5H5BrN2O |
Canonical SMILES: | CN1C=C(N=CC1=O)Br |
InChI: | InChI=1S/C5H5BrN2O/c1-8-3-4(6)7-2-5(8)9/h2-3H,1H3 |
InChI Key: | OUTMOQVYGNSIMU-UHFFFAOYSA-N |
Complexity: | 197 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 187.95853 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 187.95853 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 32.7Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.4 |
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