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7-Bromothieno[2,3-c]pyridine

CAT: 0926-QVB24022-01Size: 0.05 gDry Ice: NoHazardous: No
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CAT#:0926-QVB24022-01Size:0.05 g
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CAS Number
1140240-22-7
MDL Number
MFCD11870054
Smiles
C1=CN=C (C2=C1C=CS2) Br
Molecular Formula
C7H4BrNS
Molecular Weight
214.08 g/mol
Controlled
No

Chemical Information

7-Bromothieno[2,3-c]pyridine
CAS Number1140240-22-7
PubChem CID82276389
IUPAC Name7-bromothieno[2,3-c]pyridine
Molecular FormulaC7H4BrNS
Molecular Weight214.08
XLogP2.9
Topological Polar Surface Area41.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity131
SMILES
C1=CN=C(C2=C1C=CS2)Br
InChI
InChI=1S/C7H4BrNS/c8-7-6-5(1-3-9-7)2-4-10-6/h1-4H
InChIKey
STVXAGCPRYSKAZ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromothieno[2,3-c]pyridine
CAS: 1140240-22-7
CID: 82276389
Formula: C7H4BrNS
MW: 214.08
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight214.08
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count0
Exact Mass212.92478
Monoisotopic Mass212.92478
Topological Polar Surface Area41.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity131
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