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Home > Fluorides > 410086-27-0
410086-27-0 | 7-fluoroisoquinolin-1(2H)-one
CAS No: 410086-27-0 Catalog No: AG0035W5 MDL No:MFCD11847593
Product Description
Catalog Number:
AG0035W5
Chemical Name:
7-fluoroisoquinolin-1(2H)-one
CAS Number:
410086-27-0
Molecular Formula:
C9H6FNO
Molecular Weight:
163.1484
MDL Number:
MFCD11847593
IUPAC Name:
7-fluoro-2H-isoquinolin-1-one
InChI:
InChI=1S/C9H6FNO/c10-7-2-1-6-3-4-11-9(12)8(6)5-7/h1-5H,(H,11,12)
InChI Key:
FUOKJYPVIFOPQF-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)c(=O)[nH]cc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.043g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
163.151g/mol
Monoisotopic Mass:
163.043g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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