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((4-Bromophenyl) ethynyl) trimethylsilane

CAT: 0127-OR74842-01Size: 5 gDry Ice: NoHazardous: No
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CAT#:0127-OR74842-01Size:5 g
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CAS Number
16116-78-2
MDL Number
MFCD01863556
Purity
97%
Smiles
C[Si](C)(C)C#CC1=CC=C(Br)C=C1

Chemical Information

(4-Bromophenylethynyl)trimethylsilane
CAS Number16116-78-2
PubChem CID4226980
IUPAC Name2-(4-bromophenyl)ethynyl-trimethylsilane
Molecular FormulaC11H13BrSi
Molecular Weight253.21
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Heavy Atom Count13
Formal Charge0
Complexity219
SMILES
C[Si](C)(C)C#CC1=CC=C(C=C1)Br
InChI
InChI=1S/C11H13BrSi/c1-13(2,3)9-8-10-4-6-11(12)7-5-10/h4-7H,1-3H3
InChIKey
RNMSGCJGNJYDNS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of (4-Bromophenylethynyl)trimethylsilane
CAS: 16116-78-2
CID: 4226980
Formula: C11H13BrSi
MW: 253.21
Interactive 3D Structure
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Computed Properties
PropertyValue
Molecular Weight253.21
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count2
Exact Mass251.99699
Monoisotopic Mass251.99699
Topological Polar Surface Area0 Ų
Heavy Atom Count13
Formal Charge0
Complexity219
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