Ethyl 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate - CAS 1415819-90-7
Catalog: |
BB065824 |
Product Name: |
Ethyl 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate |
CAS: |
1415819-90-7 |
Synonyms: |
ETHYL 7-BROMO-2-OXO-3,4-DIHYDRO-1H-QUINOLINE-3-CARBOXYLATE; ETHYL7-BROMO-2-OXO-3,4-DIHYDRO-1H-QUINOLINE-3-CARBOXYLATE; 3-Quinolinecarboxylic acid, 7-bromo-1,2,3,4-tetrahydro-2-oxo-, ethyl ester |
IUPAC Name: | ethyl 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate |
Description: | Ethyl 7-bromo-2-oxo-3,4-dihydro-1H-quinoline-3-carboxylate |
Molecular Weight: | 298.13 |
Molecular Formula: | C12H12BrNO3 |
Canonical SMILES: | CCOC(=O)C1CC2=C(C=C(C=C2)Br)NC1=O |
InChI: | InChI=1S/C12H12BrNO3/c1-2-17-12(16)9-5-7-3-4-8(13)6-10(7)14-11(9)15/h3-4,6,9H,2,5H2,1H3,(H,14,15) |
InChI Key: | MVXFSCSRUAJVRJ-UHFFFAOYSA-N |
Complexity: | 321 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 297.00006 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 297.00006 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 55.4Ų |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.2 |
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