Cas no 57165-99-8 (1,4-Naphthalenedione, 2-chloro-6,8-dimethoxy-)
57165-99-8 structure
Product Name:1,4-Naphthalenedione, 2-chloro-6,8-dimethoxy-
CAS No:57165-99-8
MF:C12H9ClO4
MW:252.650462865829
CID:346325
PubChem ID:12239716
Update Time:2025-04-19
1,4-Naphthalenedione, 2-chloro-6,8-dimethoxy- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Naphthalenedione, 2-chloro-6,8-dimethoxy-
- 2-chloro-6,8-dimethoxynaphthalene-1,4-dione
- DTXSID10481927
- SCHEMBL17260621
- 57165-99-8
-
- Inchi： 1S/C12H9ClO4/c1-16-6-3-7-9(14)5-8(13)12(15)11(7)10(4-6)17-2/h3-5H,1-2H3
- InChI Key： BJJABYMUAYHUSA-UHFFFAOYSA-N
- SMILES： ClC1=CC(C2=CC(=CC(=C2C1=O)OC)OC)=O
Computed Properties
- Exact Mass: 252.01897
- Monoisotopic Mass: 252.0189365g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 377
- 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: 2.2
- Topological Polar Surface Area: 52.6?2
Experimental Properties
- PSA: 52.6
1,4-Naphthalenedione, 2-chloro-6,8-dimethoxy- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
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Jason Wan Lab Chip, 2020,20, 4528-4538
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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