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89097-90-5 | 4(1H)-Isoquinolinone, 7-fluoro-2,3-dihydro-
CAS No: 89097-90-5 Catalog No: AG003ZYN MDL No:
Product Description
Catalog Number:
AG003ZYN
Chemical Name:
4(1H)-Isoquinolinone, 7-fluoro-2,3-dihydro-
CAS Number:
89097-90-5
Molecular Formula:
C9H8FNO
Molecular Weight:
165.1643
IUPAC Name:
7-fluoro-2,3-dihydro-1H-isoquinolin-4-one
InChI:
InChI=1S/C9H8FNO/c10-7-1-2-8-6(3-7)4-11-5-9(8)12/h1-3,11H,4-5H2
InChI Key:
QWXACHWHQVKRBV-UHFFFAOYSA-N
SMILES:
Fc1ccc2c(c1)CNCC2=O
Properties
Complexity:
195
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.059g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.167g/mol
Monoisotopic Mass:
165.059g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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