6-Bromo-1-methoxyisoquinoline - CAS 891785-23-2
Catalog: |
BB055174 |
Product Name: |
6-Bromo-1-methoxyisoquinoline |
CAS: |
891785-23-2 |
Synonyms: |
1-METHOXY-6-BROMOISOQUINOLINE; 6-Bromo-1-methoxyisoquinoline |
IUPAC Name: | 6-bromo-1-methoxyisoquinoline |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8NOBr |
Canonical SMILES: | COC1=NC=CC2=C1C=CC(=C2)Br |
InChI: | InChI=1S/C10H8BrNO/c1-13-10-9-3-2-8(11)6-7(9)4-5-12-10/h2-6H,1H3 |
InChI Key: | ZXSUFWUXOVNEER-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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