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Brexpiprazole Impurity 165

CAT: 1299-RM-R182565-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-R182565-01Size:10 mg
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CAS Number
2657666-89-0
Synonyms
4,6-dibromobenzo[b]thiophene
Molecular Formula
C8H4Br2S
Molecular Weight
291.99

Chemical Information

Brexpiprazole Impurity 136
CAS Number2657666-89-0
PubChem CID132164311
IUPAC Name4,6-dibromo-1-benzothiophene
Molecular FormulaC8H4Br2S
Molecular Weight291.99
XLogP4.3
Topological Polar Surface Area28.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity151
SMILES
C1=CSC2=C1C(=CC(=C2)Br)Br
InChI
InChI=1S/C8H4Br2S/c9-5-3-7(10)6-1-2-11-8(6)4-5/h1-4H
InChIKey
CLIIAUQBRUFYQP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Brexpiprazole Impurity 136
CAS: 2657666-89-0
CID: 132164311
Formula: C8H4Br2S
MW: 291.99
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight291.99
XLogP34.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count0
Exact Mass291.83800
Monoisotopic Mass289.84005
Topological Polar Surface Area28.2 Ų
Heavy Atom Count11
Formal Charge0
Complexity151
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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