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4- (2-Fluorophenyl) thiazole

CAT: 0127-PC100680-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-PC100680-01Size:100 mg
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CAS Number
383145-30-0
MDL Number
MFCD02665940
Purity
95%
Smiles
FC1=CC=CC=C1C2=CSC=N2

Chemical Information

Thiazole, 4-(2-fluorophenyl)-
CAS Number383145-30-0
PubChem CID4683730
IUPAC Name4-(2-fluorophenyl)-1,3-thiazole
Molecular FormulaC9H6FNS
Molecular Weight179.22
XLogP2.7
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count12
Formal Charge0
Complexity153
SMILES
C1=CC=C(C(=C1)C2=CSC=N2)F
InChI
InChI=1S/C9H6FNS/c10-8-4-2-1-3-7(8)9-5-12-6-11-9/h1-6H
InChIKey
ZHRICLVLJYQIAY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Thiazole, 4-(2-fluorophenyl)-
CAS: 383145-30-0
CID: 4683730
Formula: C9H6FNS
MW: 179.22
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP32.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass179.02049853
Monoisotopic Mass179.02049853
Topological Polar Surface Area41.1 Ų
Heavy Atom Count12
Formal Charge0
Complexity153
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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CatalogName
FF51431-012- (3-Fluorophenyl) thiazole-4-carbaldehyde
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