5-Bromo-8-methoxyquinoline - CAS 10522-47-1
Catalog: |
BB071367 |
Product Name: |
5-Bromo-8-methoxyquinoline |
CAS: |
10522-47-1 |
Synonyms: |
5-bromo-8-methoxyquinoline; Quinoline, 5-bromo-8-methoxy-; 5-bromo-8-methoxyquinoline(SALTDATA: HCl) |
IUPAC Name: | 5-bromo-8-methoxyquinoline |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8BrNO |
Canonical SMILES: | COC1=C2C(=C(C=C1)Br)C=CC=N2 |
InChI: | InChI=1S/C10H8BrNO/c1-13-9-5-4-8(11)7-3-2-6-12-10(7)9/h2-6H,1H3 |
InChI Key: | ZRQISUREPLHYIG-UHFFFAOYSA-N |
Complexity: | 176 |
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: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 22.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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