2-(2,5-Dibromothiophen-3-YL)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
PubChem CID
53429016
Structure
Molecular Formula
Synonyms
- 2-(2,5-DIBROMOTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
- 942070-22-6
- MFCD12405469
- 2,5-Dibromothiophene-3-boronic acid pinacol ester
- C10H13BBr2O2S
Molecular Weight
367.90 g/mol
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Dates
- Create:2011-10-30
- Modify:2024-12-28
Chemical Structure Depiction
Conformer generation is disallowed since MMFF94s unsupported element
2-(2,5-dibromothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Computed by LexiChem 2.6.6 (PubChem release 2019.06.18)
InChI=1S/C10H13BBr2O2S/c1-9(2)10(3,4)15-11(14-9)6-5-7(12)16-8(6)13/h5H,1-4H3
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
FBVYFWMGZNOTBO-UHFFFAOYSA-N
Computed by InChI 1.0.5 (PubChem release 2019.06.18)
B1(OC(C(O1)(C)C)(C)C)C2=C(SC(=C2)Br)Br
Computed by OEChem 2.1.5 (PubChem release 2019.06.18)
C10H13BBr2O2S
Computed by PubChem 2.1 (PubChem release 2019.06.18)
- 2-(2,5-DIBROMOTHIOPHEN-3-YL)-4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLANE
- 942070-22-6
- MFCD12405469
- 2,5-Dibromothiophene-3-boronic acid pinacol ester
- C10H13BBr2O2S
- 2-(2,5-dibromo-3-thienyl)-4,4,5,5-tetramethyl-1,3,2-Dioxaborolane
- DTXSID60700014
- (2,5-DIBROMOTHIOPHEN-3-YL)BORONIC ACID PINACOL ESTER
- AKOS016006564
- DS-18455
- SY108352
- DB-079820
- CS-0101386
- F30017
- 2-(2 pound not5-Dibromothiophen-3-yl)-4 pound not4 pound not5 pound not5-tetramethyl-1 pound not3 pound not2-dioxaborolane
Property Name
Property Value
Reference
Property Name
Molecular Weight
Property Value
367.90 g/mol
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Hydrogen Bond Donor Count
Property Value
0
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Hydrogen Bond Acceptor Count
Property Value
3
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Rotatable Bond Count
Property Value
1
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Exact Mass
Property Value
367.90756 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Monoisotopic Mass
Property Value
365.90961 Da
Reference
Computed by PubChem 2.1 (PubChem release 2021.05.07)
Property Name
Topological Polar Surface Area
Property Value
46.7Ų
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Heavy Atom Count
Property Value
16
Reference
Computed by PubChem
Property Name
Formal Charge
Property Value
0
Reference
Computed by PubChem
Property Name
Complexity
Property Value
272
Reference
Computed by Cactvs 3.4.6.11 (PubChem release 2019.06.18)
Property Name
Isotope Atom Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Atom Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Defined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Undefined Bond Stereocenter Count
Property Value
0
Reference
Computed by PubChem
Property Name
Covalently-Bonded Unit Count
Property Value
1
Reference
Computed by PubChem
Property Name
Compound Is Canonicalized
Property Value
Yes
Reference
Computed by PubChem (release 2019.01.04)
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Similar Compounds (2D)
Similar Conformers (3D)
Same Count
- CAS Common ChemistryLICENSEThe data from CAS Common Chemistry is provided under a CC-BY-NC 4.0 license, unless otherwise stated.https://creativecommons.org/licenses/by-nc/4.0/2-(2,5-Dibromo-3-thienyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanehttps://commonchemistry.cas.org/detail?cas_rn=942070-22-6
- EPA DSSTox2-(2,5-Dibromothiophen-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolanehttps://comptox.epa.gov/dashboard/DTXSID60700014
- Japan Chemical Substance Dictionary (Nikkaji)
- Wikidata2,5-Dibromothiophene-3-boronic acid pinacol esterhttps://www.wikidata.org/wiki/Q72465146
- PubChem
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