7- Bromo- 5- fluoro- 1, 2, 3, 4- tetrahydroisoquinoli n- 1- one - CAS 1341674-79-0
Catalog: |
BB062190 |
Product Name: |
7- Bromo- 5- fluoro- 1, 2, 3, 4- tetrahydroisoquinoli n- 1- one |
CAS: |
1341674-79-0 |
Synonyms: |
7-Bromo-5-fluoro-3,4-dihydroisoquinolin-1(2H)-one; 7-bromo-5-fluoro-1,2,3,4-tetrahydroisoquinolin-1-one; 7-bromo-5-fluoro-3,4-dihydro-2H-isoquinolin-1-one |
IUPAC Name: | 7-bromo-5-fluoro-3,4-dihydro-2H-isoquinolin-1-one |
Molecular Weight: | 244.06 |
Molecular Formula: | C9H7BrFNO |
Canonical SMILES: | C1CNC(=O)C2=C1C(=CC(=C2)Br)F |
InChI: | InChI=1S/C9H7BrFNO/c10-5-3-7-6(8(11)4-5)1-2-12-9(7)13/h3-4H,1-2H2,(H,12,13) |
InChI Key: | SWDNXUOHYHBRNG-UHFFFAOYSA-N |
Complexity: | 224 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.9695 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.9695 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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