6,7-Difluoro-3,4-dihydroisoquinolin-1(2H)-one - CAS 1352393-61-3
Catalog: |
BB008105 |
Product Name: |
6,7-Difluoro-3,4-dihydroisoquinolin-1(2H)-one |
CAS: |
1352393-61-3 |
Synonyms: |
6,7-difluoro-3,4-dihydro-2H-isoquinolin-1-one; 6,7-difluoro-3,4-dihydro-2H-isoquinolin-1-one |
IUPAC Name: | 6,7-difluoro-3,4-dihydro-2H-isoquinolin-1-one |
Description: | 6,7-Difluoro-3,4-dihydroisoquinolin-1(2H)-one (CAS# 1352393-61-3 ) is a useful research chemical. |
Molecular Weight: | 183.15 |
Molecular Formula: | C9H7F2NO |
Canonical SMILES: | C1CNC(=O)C2=CC(=C(C=C21)F)F |
InChI: | InChI=1S/C9H7F2NO/c10-7-3-5-1-2-12-9(13)6(5)4-8(7)11/h3-4H,1-2H2,(H,12,13) |
InChI Key: | QCFLRJVEUDYCCP-UHFFFAOYSA-N |
Storage: | 2-8 °C |
LogP: | 1.57950 |
Publication Number | Title | Priority Date |
CN-103108871-B | 17a-hydroxylase/c17,20-lyase inhibitors | 20100916 |
JP-2013537210-A | 17α-hydroxylase / C17,20-lyase inhibitor | 20100916 |
US-2014045872-A1 | 17a-HYDROXYLASE/C17,20-LYASE INHIBITORS | 20100916 |
US-8946260-B2 | 17α-hydroxylase/C17,20-lyase inhibitors | 20100916 |
Complexity: | 222 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 183.04957017 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 183.04957017 |
Rotatable Bond Count: | 0 |
Topological Polar Surface Area: | 29.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.4 |
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