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16872-09-6 molecular structure
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11,12-dihydrogenio-1$l^{5},2$l^{5},3$l^{5},4$l^{5},5$l^{5},6$l^{5},7$l^{5},8$l^{5},9$l^{5},10$l^{5}-decaboranonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecane

ChemBase ID: 64103
Molecular Formular: C2H2B10
Molecular Mass: 134.14728
Monoisotopic Mass: 136.10870406
SMILES and InChIs

SMILES:
[B]1234[B]567[B]891[B]1%104[B]4%113[B]325[B]257[B]768[B]691[C]157[B]432[C]%10%1161
Canonical SMILES:
[C]1234[C]567[B]891[B]1%104[B]4%113[B]325[B]256[B]678[B]791[B]1%10%11[B]432[B]5671
InChI:
InChI=1S/C2B10/c1-2-3(1)5(1)6(1)4(1,2)8(2)7(2,3)9(3,5)11(5,6)10(4,6,8)12(7,8,9)11
InChIKey:
FSDIYNDXPIJEFP-UHFFFAOYSA-N

Cite this record

CBID:64103 http://www.chembase.cn/molecule-64103.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
11,12-dihydrogenio-1$l^{5},2$l^{5},3$l^{5},4$l^{5},5$l^{5},6$l^{5},7$l^{5},8$l^{5},9$l^{5},10$l^{5}-decaboranonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecane
IUPAC Traditional name
11,12-dihydrogenio-1$l^{5},2$l^{5},3$l^{5},4$l^{5},5$l^{5},6$l^{5},7$l^{5},8$l^{5},9$l^{5},10$l^{5}-decaboranonadecacyclo[5.4.1.0^{1,3}.0^{1,4}.0^{2,6}.0^{2,7}.0^{2,12}.0^{3,5}.0^{3,6}.0^{4,9}.0^{4,11}.0^{5,8}.0^{5,9}.0^{6,8}.0^{7,10}.0^{8,10}.0^{9,11}.0^{10,12}.0^{11,12}]dodecane
Synonyms
o-Carborane
CAS Number
16872-09-6
MDL Number
MFCD00012169
PubChem SID
162029842
PubChem CID
0

DATA SOURCES

DATA SOURCES

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Data Source Data ID Price
Matrix Scientific
069428 external link Add to cart Please log in.
Data Source Data ID
PubChem 0 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
Molar Refractivity 27.8298 cm3 Polar Surface Area 0.0 Å2
Rotatable Bonds Lipinski's Rule of Five false 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
99+% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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