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Compound 1423-61-6

CAT: 0931-TPL0191-01Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-TPL0191-01Size:200 mg
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CAS Number
1423-61-6
Purity
0.9771
Bioactivity
Compound 1423-61-6, with CAS No. 1423-61-6, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound 1423-61-6 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
BrC1=C2SC=CC2=CC=C1
Molecular Formula
C8H5BrS
Molecular Weight
213.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

7-Bromobenzo[b]thiophene
CAS Number1423-61-6
PubChem CID12045538
IUPAC Name7-bromo-1-benzothiophene
Molecular FormulaC8H5BrS
Molecular Weight213.10
XLogP3.6
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count10
Formal Charge0
Complexity126
SMILES
C1=CC2=C(C(=C1)Br)SC=C2
InChI
InChI=1S/C8H5BrS/c9-7-3-1-2-6-4-5-10-8(6)7/h1-5H
InChIKey
NOICDPBEDNMHQK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 7-Bromobenzo[b]thiophene
CAS: 1423-61-6
CID: 12045538
Formula: C8H5BrS
MW: 213.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight213.10
XLogP33.6
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass211.92953
Monoisotopic Mass211.92953
Topological Polar Surface Area28.2 Ų
Heavy Atom Count10
Formal Charge0
Complexity126
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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