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4-Bromo-2-fluorothiobenzamide

CAT: 0127-PC7164Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-PC7164Size:1 g
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CAS Number
883230-66-8
MDL Number
MFCD08460505
Purity
97%
Smiles
NC(=S)c1ccc(Br)cc1F

Chemical Information

4-Bromo-2-fluorothiobenzamide
CAS Number883230-66-8
PubChem CID26941395
IUPAC Name4-bromo-2-fluorobenzenecarbothioamide
Molecular FormulaC7H5BrFNS
Molecular Weight234.09
XLogP2.2
Topological Polar Surface Area58.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Heavy Atom Count11
Formal Charge0
Complexity165
SMILES
C1=CC(=C(C=C1Br)F)C(=S)N
InChI
InChI=1S/C7H5BrFNS/c8-4-1-2-5(7(10)11)6(9)3-4/h1-3H,(H2,10,11)
InChIKey
GNDSJPDFKJKCCL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Bromo-2-fluorothiobenzamide
CAS: 883230-66-8
CID: 26941395
Formula: C7H5BrFNS
MW: 234.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight234.09
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count1
Exact Mass232.93101
Monoisotopic Mass232.93101
Topological Polar Surface Area58.1 Ų
Heavy Atom Count11
Formal Charge0
Complexity165
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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