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12007-98-6 molecular structure
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diboranylidyne-1,2,4-tribora-3,5-ditungstacyclopenta-1,3-diene

ChemBase ID: 109966
Molecular Formular: B5H7W2
Molecular Mass: 428.79058
Monoisotopic Mass: 430.00316422
SMILES and InChIs

SMILES:
[BH2]#[W]1[BH]=[BH][W](#[BH2])=[BH]1
Canonical SMILES:
[BH2]#[W]1[BH]=[BH][W](=[BH]1)#[BH2]
InChI:
InChI=1S/B2.3B.2W/c1-2;;;;;/q+2;;;;2*-1
InChIKey:
KOTVLNYJAPJBQO-UHFFFAOYSA-N

Cite this record

CBID:109966 http://www.chembase.cn/molecule-109966.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
diboranylidyne-1,2,4-tribora-3,5-ditungstacyclopenta-1,3-diene
IUPAC Traditional name
diboranylidyne-1,2,4-tribora-3,5-ditungstacyclopenta-1,3-diene
Synonyms
Tungsten boride
DITUNGSTEN PENTABORIDE
硼化钨
CAS Number
12007-98-6
EC Number
234-524-8
MDL Number
MFCD00049707
PubChem SID
162095603
PubChem CID
25113386

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25113386 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 5.5  LogD (pH = 7.4) 5.5 
Log P 5.5  Molar Refractivity 0.0 cm3
Polarizability 21.962225 Å3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Apperance
-325 Mesh Powder expand Show data source
MSDS Link
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TSCA Listed
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Purity
99.4% (metals basis) expand Show data source
Certificate of Analysis
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DETAILS

DETAILS

MP Biomedicals MP Biomedicals
MP Biomedicals - 05213228 external link
MP Biomedicals Rare Chemical collection

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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