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2-Chloronaphthalene-d7

CAT: 0804-HY-124451S-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0804-HY-124451S-01Size:1 mg
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Description
2-Chloronaphthalene-d7 is the deuterium labeled 2-Chloronaphthalene[1].
CAS Number
93951-84-9
UNSPSC
12352005
Target
Isotope-Labeled Compounds
Type
Isotope-Labeled Compounds
Related Pathways
Others
Field of Research
Others
Purity
98.93
Solubility
10 mM in DMSO
Smiles
ClC1=C([2H])C2=C(C([2H])=C([2H])C([2H])=C2[2H])C([2H])=C1[2H]
Molecular Formula
C10D7Cl
Molecular Weight
169.66
References & Citations
[1]Russak EM, et al. Impact of Deuterium Substitution on the Pharmacokinetics of Pharmaceuticals. Ann Pharmacother. 2019 Feb;53 (2) :211-216.
Shipping Conditions
Room Temperature
Storage Conditions
-20°C, 3 years; 4°C, 2 years (Powder)
Scientific Category
Isotope-Labeled Compounds
Clinical Information
No Development Reported

Chemical Information

2-Chloronaphthalene-d7
CAS Number93951-84-9
PubChem CID102600967
IUPAC Name2-chloro-1,3,4,5,6,7,8-heptadeuterionaphthalene
Molecular FormulaC10H7Cl
Molecular Weight169.66
XLogP4.1
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
[2H]C1=C(C(=C2C(=C(C(=C(C2=C1[2H])[2H])[2H])Cl)[2H])[2H])[2H]
InChI
InChI=1S/C10H7Cl/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H/i1D,2D,3D,4D,5D,6D,7D
InChIKey
CGYGETOMCSJHJU-GSNKEKJESA-N
Chemical Structure
2D Structure
2D structure of 2-Chloronaphthalene-d7
CAS: 93951-84-9
CID: 102600967
Formula: C10H7Cl
MW: 169.66
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight169.66
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass169.0675651
Monoisotopic Mass169.0675651
Topological Polar Surface Area0 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
Isotope Atom Count7
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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