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Molecule
ID:136670
Structure
Similarity
Functional Group
Text
General Information
Structure
Molecular Formula
C₂H₃Cl
Molecular Mass
64.48352968
Exact Mass
63.99903745
Charge
0
InChI
InChI=1S/C2H3Cl/c1-2-3/h2H,1H2/i1+1,2+1
InChIKey
BZHJMEDXRYGGRV-ZDOIIHCHSA-N
Canonic Smiles
Cl[13CH]=[13CH2]
Isomeric Smiles
[13CH2]=[13CH]Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
1.4240065
LogD (pH = 7.4)
1.4240065
Log P
1.4240065
Molar Refractivity
14.7774
Polarizability
6.007442
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
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Related Proteins
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General Information
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RDKit
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Synonyms
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IUPAC Traditional name
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IUPAC name
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MDL Number
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PubChem SID
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PubChem CID
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Product Information
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Physical Property
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Safety Information
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Molecular Spectra
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From Data Sources
Bioactivity
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PubChem BioAssay
Data Source
Commercial Catalog
Sigma Aldrich
691976
Academic Data
PubChem
71309975
Names and Identifiers
Synonyms
Chloroethylene-13C2
Vinyl-13C2 chloride
IUPAC Traditional name
1-chloro(1,2-
1
3
C
2
)ethene
IUPAC name
1-chloro(1,2-
1
3
C
2
)ethene
Registration numbers
MDL Number
MFCD00145525
PubChem SID
162230940
PubChem CID
71309975
Molecule Details
Sigma Aldrich
691976
包装
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.
References
PubChem Literature
No Data Available
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Bioactivity
PubChem BioAssay
Properties
Product Information
Isotopic Purity
99 atom % 13C
Source
Linear Formula
13CH2=13CHCl
Source
Mol. Weight
mol wt 64.46 by atom % calculation
Source
Purity
98% (CP)
Source
Physical Property
Melting Point
-153.8 °C(lit.)
Source
-13.4 °C(lit.)
Source
M+2
Source
Safety Information
Download link
Source
Boiling Point
Mass Shift
MSDS Link