Products for Research Use Only

6-Fluoroisatin

CAT: 0926-FF172121-01Size: 250 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FF172121-01Size:250 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
324-03-8
Smiles
C1=CC2=C (C=C1F) NC (=O) C2=O
Molecular Formula
C8H4FNO2
Molecular Weight
165.12 g/mol
Controlled
No

Chemical Information

6-Fluoroisatin
CAS Number324-03-8
PubChem CID373905
IUPAC Name6-fluoro-1H-indole-2,3-dione
Molecular FormulaC8H4FNO2
Molecular Weight165.12
XLogP0.7
Topological Polar Surface Area46.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count12
Formal Charge0
Complexity241
SMILES
C1=CC2=C(C=C1F)NC(=O)C2=O
InChI
InChI=1S/C8H4FNO2/c9-4-1-2-5-6(3-4)10-8(12)7(5)11/h1-3H,(H,10,11,12)
InChIKey
CWVFOAVBTUHQCZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 6-Fluoroisatin
CAS: 324-03-8
CID: 373905
Formula: C8H4FNO2
MW: 165.12
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight165.12
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass165.02260653
Monoisotopic Mass165.02260653
Topological Polar Surface Area46.2 Ų
Heavy Atom Count12
Formal Charge0
Complexity241
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

Popular Products