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Dichlorobenzene
ScientificNameLabel
Dichlorobenzene
PHCD compound ID :
5482
Chemical Names :
Dichlorobenzene
Molecular Formula :
C6H4Cl2
Molecular Weight :
145.969005
More Details :
Names & Synonyms:
1,4-dichlorobenzene , 1,4-bis(chloranyl)benzene
Smiles:
Clc1ccc(cc1)Cl
InChi :
InChI=1S/C6H4Cl2/c7-5-1-2-6(8)4-3-5/h1-4H
InChi Key :
InChIKey=OCJBOOLMMGQPQU-UHFFFAOYSA-N
PubChem ID :
4685
Rotatable bond count :
0
Rule of five :
0
Hydrogen bond acceptor count :
0
Ionization potential :
9.840015
Hydrogen bond donor count :
0
Electric dipole moment :
0.002
XLogP :
1.97
VDW volume :
111.588667
Molecular weight :
145.969005
HOMO-LUMO gap :
9.161000
Herb list :
Horehound - Marrubium vulgare L - فراسیون
Refrences & Litretures:
917. Journal:'International Letters of Chemistry, Physics and Astronomy' Year:'2013' Volume:'13' Page:'210' DOI:'10.18052/www.scipress.com/ILCPA.13.210' Title:'Chemical composition of Marrubium vulgare L. essential oil from Algeria'
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