Cas no 61103-10-4 (1,4-Naphthalenedione, 2,3-dichloro-6,7-dimethyl-)
61103-10-4 structure
Product Name:1,4-Naphthalenedione, 2,3-dichloro-6,7-dimethyl-
CAS No:61103-10-4
MF:C12H8Cl2O2
MW:255.09672164917
CID:491798
PubChem ID:915330
Update Time:2025-04-19
1,4-Naphthalenedione, 2,3-dichloro-6,7-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2,3-dichloro-6,7-dimethyl-
- 2,3-dichloro-6,7-dimethylnaphthalene-1,4-dione
- 61103-10-4
- DTXSID10358781
- SCHEMBL1863215
-
- Inchi： 1S/C12H8Cl2O2/c1-5-3-7-8(4-6(5)2)12(16)10(14)9(13)11(7)15/h3-4H,1-2H3
- InChI Key： BLEJBUQBIAEOCX-UHFFFAOYSA-N
- SMILES： ClC1=C(C(C2=CC(C)=C(C)C=C2C1=O)=O)Cl
Computed Properties
- Exact Mass: 253.99024
- Monoisotopic Mass: 253.9901349g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 0
- Complexity: 351
- 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: 3.9
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
1,4-Naphthalenedione, 2,3-dichloro-6,7-dimethyl- Related Literature
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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