O-Carborane

CAT: 0127-OR1029720-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-OR1029720-01Size:100 mg

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CAS Number

16872-09-6

Synonyms

(11Z) -1,2,3,4,5,6,7,8,9,10-decaboracyclododeca-1,3,5,7,9,11-hexaene

Purity

98%

Smiles

B1=BB=BB=B/C=C\B=BB=B1

Chemical Information

1,2-Dicarbadodecaborane(12)

See also: 1,2-Dicarbadodecaborane (annotation moved to).

CAS Number	16872-09-6
PubChem CID	17750431
IUPAC Name	(11Z)-1,2,3,4,5,6,7,8,9,10-decaboracyclododeca-1,3,5,7,9,11-hexaene
Molecular Formula	C2H2B10
Molecular Weight	134.2
Topological Polar Surface Area	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Heavy Atom Count	12
Formal Charge	0
Complexity	250

SMILES

B1=BB=BB=B/C=C\B=BB=B1

InChI

InChI=1S/C2H2B10/c1-2-4-6-8-10-12-11-9-7-5-3-1/h1-2H/b2-1-

InChIKey

GJLPUBMCTFOXHD-UPHRSURJSA-N

Chemical Structure

2D Structure

CAS: 16872-09-6

CID: 17750431

Formula: C2H2B10

MW: 134.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	134.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	0
Rotatable Bond Count	0
Exact Mass	134.115965
Monoisotopic Mass	136.108702
Topological Polar Surface Area	0 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	250
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
IN13300	Cesium carborane
OR1030788-01	M-Carborane
OR1073313-01	Methyl o-tolyl carbonate
OR1044074-01	O, O', O''-Triethyl phosphorothioate
OR95833-01	O, O, O-Trimethyl phosphorothioate
OR1049846-01	O, O-Diethyl O-phenyl phosphorothioate
OR1004225-01	O, O-diethyl sulfanylphosphonothioate
OR1066306-01	O, O-Dimethyl phosphoramidothioate
OR1014523-01	O-chlorophenyl o-aminobenzenesulphonate
OR1028481-01	O, O'-Dimethyl Dithiophosphate