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51177-12-9 molecular structure
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chloro(hydrido)tungsteniumylium; bis(cyclopenta-2,4-dien-1-ide)

ChemBase ID: 151429
Molecular Formular: C10H10ClW
Molecular Mass: 349.4794
Monoisotopic Mass: 348.998034
SMILES and InChIs

SMILES:
C1=C[CH-]C=C1.C1=C[CH-]C=C1.Cl[W+2]
Canonical SMILES:
[CH-]1C=CC=C1.[CH-]1C=CC=C1.Cl[W+2]
InChI:
InChI=1S/2C5H5.ClH.W/c2*1-2-4-5-3-1;;/h2*1-5H;1H;/q2*-1;;+3/p-1
InChIKey:
ZOGWIEXRMWXNEN-UHFFFAOYSA-M

Cite this record

CBID:151429 http://www.chembase.cn/molecule-151429.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
chloro(hydrido)tungsteniumylium; bis(cyclopenta-2,4-dien-1-ide)
IUPAC Traditional name
chloro(hydrido)tungsteniumylium; bis(cyclopentadienide)
Synonyms
Bis(cyclopentadienyl)tungsten(IV) chloride hydride
双(环戊二烯基)氢氯化钨(IV)
CAS Number
51177-12-9
MDL Number
MFCD04126435
PubChem SID
24873647

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Sigma Aldrich 512605 external link Add to cart
Data Source Data ID Price
Sigma Aldrich
512605 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 16.226988  H Acceptors
H Donor LogD (pH = 5.5) 1.499 
LogD (pH = 7.4) 1.499  Log P 2.248 
Molar Refractivity 21.715 cm3 Polarizability 8.791516 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
195 °C (dec.)(lit.) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Empirical Formula (Hill Notation)
C10H11ClW expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 512605 external link
Packaging
1 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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