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8-Fluoro-5-nitroisoquinoline

CAT: 0127-PC1005864-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-PC1005864-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
608515-46-4
MDL Number
MFCD22627975
Purity
98%
Smiles
O=[N+](C1=CC=C(F)C2=C1C=CN=C2)[O-]

Chemical Information

8-Fluoro-5-nitroisoquinoline
CAS Number608515-46-4
PubChem CID67001818
IUPAC Name8-fluoro-5-nitroisoquinoline
Molecular FormulaC9H5FN2O2
Molecular Weight192.15
XLogP2
Topological Polar Surface Area58.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity231
SMILES
C1=CC(=C2C=NC=CC2=C1[N+](=O)[O-])F
InChI
InChI=1S/C9H5FN2O2/c10-8-1-2-9(12(13)14)6-3-4-11-5-7(6)8/h1-5H
InChIKey
VRYKLIWGJJOFHU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 8-Fluoro-5-nitroisoquinoline
CAS: 608515-46-4
CID: 67001818
Formula: C9H5FN2O2
MW: 192.15
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight192.15
XLogP32
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count0
Exact Mass192.03350557
Monoisotopic Mass192.03350557
Topological Polar Surface Area58.7 Ų
Heavy Atom Count14
Formal Charge0
Complexity231
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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