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1,4-Dichlorobenzene-13C6

CAT: 0572-TRC-D431878-10MGSize: 10 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-D431878-10MGSize:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
201595-59-7
Synonyms
Benzene-13C6, 1,4-dichloro- (9CI); 1,4-Dichlorobenzene 13C6; 1,4-Dichlorobenzene-1,2,3,4,5,6-13C6
Hazard Statement
No Data Available
Smiles
Cl[13c]1[13cH][13cH][13c](Cl)[13cH][13cH]1
Molecular Formula
13C6 H4 Cl2
Molecular Weight
152.96
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
Additionnal Information
IUPAC name: 1,4-dichloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
Shipping Conditions
Room Temperature

Chemical Information

1,4-Dichlorobenzene-13C6
CAS Number201595-59-7
PubChem CID12221302
IUPAC Name1,4-dichloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
Molecular FormulaC6H4Cl2
Molecular Weight152.96
XLogP3.4
Topological Polar Surface Area0
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Heavy Atom Count8
Formal Charge0
Complexity54
SMILES
[13CH]1=[13CH][13C](=[13CH][13CH]=[13C]1Cl)Cl
InChI
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H/i1+1,2+1,3+1,4+1,5+1,6+1
InChIKey
OCJBOOLMMGQPQU-IDEBNGHGSA-N
Chemical Structure
2D Structure
2D structure of 1,4-Dichlorobenzene-13C6
CAS: 201595-59-7
CID: 12221302
Formula: C6H4Cl2
MW: 152.96
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight152.96
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count0
Rotatable Bond Count0
Exact Mass151.9891345
Monoisotopic Mass151.9891345
Topological Polar Surface Area0 Ų
Heavy Atom Count8
Formal Charge0
Complexity54.9
Isotope Atom Count6
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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