3-Bromo-2-methyl-4-quinolone - CAS 41999-24-0
Catalog: |
BB073102 |
Product Name: |
3-Bromo-2-methyl-4-quinolone |
CAS: |
41999-24-0 |
Synonyms: |
3-BROMO-2-METHYLQUINOLIN-4-OL; 3-Bromo-4-hydroxy-2-methylquinoline; 3-bromo-2-methylquinolin-4(1H)-one; 3-Bromo-2-methyl-4-quinolinol; 3-bromo-2-methyl-1H-quinolin-4-one |
IUPAC Name: | 3-bromo-2-methyl-1H-quinolin-4-one |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8BrNO |
Canonical SMILES: | CC1=C(C(=O)C2=CC=CC=C2N1)Br |
InChI: | InChI=1S/C10H8BrNO/c1-6-9(11)10(13)7-4-2-3-5-8(7)12-6/h2-5H,1H3,(H,12,13) |
InChI Key: | RPUCDXLAFUWPHF-UHFFFAOYSA-N |
Complexity: | 272 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.97893 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.8 |
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