7-Bromo-5-methyl-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one - CAS 1247186-14-6
Catalog: |
BB070868 |
Product Name: |
7-Bromo-5-methyl-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one |
CAS: |
1247186-14-6 |
Synonyms: |
7-bromo-5-methyl-1H,2H,3H,4H,9H-cyclopenta[b]quinolin-9-one; 7-bromo-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one |
IUPAC Name: | 7-bromo-5-methyl-1,2,3,4-tetrahydrocyclopenta[b]quinolin-9-one |
Molecular Weight: | 278.14 |
Molecular Formula: | C13H12NOBr |
Canonical SMILES: | CC1=CC(=CC2=C1NC3=C(C2=O)CCC3)Br |
InChI: | InChI=1S/C13H12BrNO/c1-7-5-8(14)6-10-12(7)15-11-4-2-3-9(11)13(10)16/h5-6H,2-4H2,1H3,(H,15,16) |
InChI Key: | KVXUYXLAXIFAJR-UHFFFAOYSA-N |
Complexity: | 363 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 277.01023 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 277.01023 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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