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Home > Fluorides > 1242156-53-1
1242156-53-1 | 1(2H)-Isoquinolinone, 6-cyclopropyl-8-fluoro-
CAS No: 1242156-53-1 Catalog No: AG000LOZ MDL No:MFCD22572858
Product Description
Catalog Number:
AG000LOZ
Chemical Name:
1(2H)-Isoquinolinone, 6-cyclopropyl-8-fluoro-
CAS Number:
1242156-53-1
Molecular Formula:
C12H10FNO
Molecular Weight:
203.2123
MDL Number:
MFCD22572858
IUPAC Name:
6-cyclopropyl-8-fluoro-2H-isoquinolin-1-one
InChI:
InChI=1S/C12H10FNO/c13-10-6-9(7-1-2-7)5-8-3-4-14-12(15)11(8)10/h3-7H,1-2H2,(H,14,15)
InChI Key:
LDOIRSRUYDIUTP-UHFFFAOYSA-N
SMILES:
Fc1cc(cc2c1c(=O)[nH]cc2)C1CC1
Properties
Complexity:
311
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.075g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.216g/mol
Monoisotopic Mass:
203.075g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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