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3-Fluorocarbazole

CAT: 0127-PC101136-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC101136-01Size:100 mg
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CAS Number
391-45-7
Purity
98%
Smiles
FC1=CC2=C(C=C1)NC3=C2C=CC=C3

Chemical Information

3-Fluorocarbazole
CAS Number391-45-7
PubChem CID15886841
IUPAC Name3-fluoro-9H-carbazole
Molecular FormulaC12H8FN
Molecular Weight185.20
XLogP3.8
Topological Polar Surface Area15.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count14
Formal Charge0
Complexity218
SMILES
C1=CC=C2C(=C1)C3=C(N2)C=CC(=C3)F
InChI
InChI=1S/C12H8FN/c13-8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h1-7,14H
InChIKey
IEUMYICVZHBVAV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Fluorocarbazole
CAS: 391-45-7
CID: 15886841
Formula: C12H8FN
MW: 185.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight185.20
XLogP33.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass185.064077422
Monoisotopic Mass185.064077422
Topological Polar Surface Area15.8 Ų
Heavy Atom Count14
Formal Charge0
Complexity218
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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