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8-Fluoro-7-methylquinoline

CAT: 0926-VGC79463-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-VGC79463-01Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1420794-63-3
MDL Number
MFCD22688864
Smiles
CC1=C (C2=C (C=CC=N2) C=C1) F
Molecular Formula
C10H8FN
Molecular Weight
161.18 g/mol
Controlled
No

Chemical Information

Quinoline, 8-fluoro-7-methyl-
CAS Number1420794-63-3
PubChem CID97036704
IUPAC Name8-fluoro-7-methylquinoline
Molecular FormulaC10H8FN
Molecular Weight161.18
XLogP2.7
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity160
SMILES
CC1=C(C2=C(C=CC=N2)C=C1)F
InChI
InChI=1S/C10H8FN/c1-7-4-5-8-3-2-6-12-10(8)9(7)11/h2-6H,1H3
InChIKey
HVEWBBAQMKACPR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Quinoline, 8-fluoro-7-methyl-
CAS: 1420794-63-3
CID: 97036704
Formula: C10H8FN
MW: 161.18
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight161.18
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass161.064077422
Monoisotopic Mass161.064077422
Topological Polar Surface Area12.9 Ų
Heavy Atom Count12
Formal Charge0
Complexity160
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