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2-Bromo-5-fluorothiophene

CAT: 0926-HBA41541-01Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0926-HBA41541-01Size:50 mg
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CAS Number
32415-41-1
MDL Number
MFCD20526232
Smiles
C1=C (SC (=C1) Br) F
Molecular Formula
C4H2BrFS
Molecular Weight
181.03 g/mol
Controlled
No

Chemical Information

2-Bromo-5-fluorothiophene
CAS Number32415-41-1
PubChem CID14786521
IUPAC Name2-bromo-5-fluorothiophene
Molecular FormulaC4H2BrFS
Molecular Weight181.03
XLogP3.1
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity68
SMILES
C1=C(SC(=C1)Br)F
InChI
InChI=1S/C4H2BrFS/c5-3-1-2-4(6)7-3/h1-2H
InChIKey
WMCDDNAETBQBMJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Bromo-5-fluorothiophene
CAS: 32415-41-1
CID: 14786521
Formula: C4H2BrFS
MW: 181.03
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight181.03
XLogP33.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass179.90446
Monoisotopic Mass179.90446
Topological Polar Surface Area28.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity68.7
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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