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9-Chloroanthracene

CAS No.:
716-53-0
Catalog Number:
AG003NKK
Molecular Formula:
C14H9Cl
Molecular Weight:
212.6743
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Product Description
Catalog Number:
AG003NKK
Chemical Name:
9-Chloroanthracene
CAS Number:
716-53-0
Molecular Formula:
C14H9Cl
Molecular Weight:
212.6743
MDL Number:
MFCD00001245
IUPAC Name:
9-chloroanthracene
InChI:
InChI=1S/C14H9Cl/c15-14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChI Key:
KULLJOPUZUWTMF-UHFFFAOYSA-N
SMILES:
Clc1c2ccccc2cc2c1cccc2
EC Number:
211-937-1
NSC Number:
179354
Properties
Complexity:
203  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.039g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
212.676g/mol
Monoisotopic Mass:
212.039g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2  
Literature
Title Journal
Design and applications of an in situ electrochemical NMR cell. Journal of magnetic resonance (San Diego, Calif. : 1997) 20110101
2,5-Dimethyl-2,4-hexadiene induced photodechlorination of 9,10-dichloroanthracene. Photochemical & photobiological sciences : Official journal of the European Photochemistry Association and the European Society for Photobiology 20090601
Prediction of genotoxicity of chemical compounds by statistical learning methods. Chemical research in toxicology 20050601
Marcus theory of outer-sphere heterogeneous electron transfer reactions: dependence of the standard electrochemical rate constant on the hydrodynamic radius from high precision measurements of the oxidation of anthracene and its derivatives in nonaqueous solvents using the high-speed channel electrode. Journal of the American Chemical Society 20040519
Functional role of Cl- channels in acidic pH-induced contraction of the aorta of spontaneously hypertensive and Wistar Kyoto rats. European journal of pharmacology 20021025
Properties