Cas no 56961-34-3 (3-Chloro-o-benzoquinone)
3-Chloro-o-benzoquinone structure
Product Name:3-Chloro-o-benzoquinone
3-Chloro-o-benzoquinone Chemical and Physical Properties
Names and Identifiers
-
- 3-Chloro-o-benzoquinone
- 3-chlorocyclohexa-3,5-diene-1,2-dione
- 56961-34-3
- chloro-o-benzoquinone
- SCHEMBL8663138
- DTXSID50205528
- DB-304624
- 4-07-00-02064 (Beilstein Handbook Reference)
- AKOS006276781
- BRN 2241188
- o-Benzoquinone, 3-chloro-
-
- Inchi： 1S/C6H3ClO2/c7-4-2-1-3-5(8)6(4)9/h1-3H
- InChI Key： YXNXDWBQKZVHCM-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(C1=O)=O
Computed Properties
- Exact Mass: 141.98219
- Monoisotopic Mass: 141.9821570g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 225
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.2
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
3-Chloro-o-benzoquinone Related Literature
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David White,Sean R. Stowell Biomater. Sci., 2017,5, 463-474
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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