Cas no 61368-56-7 (Benzenedicarboxylic acid, bis(chlorocarbonyl)-)
61368-56-7 structure
Product Name:Benzenedicarboxylic acid, bis(chlorocarbonyl)-
CAS No:61368-56-7
MF:C10H4Cl2O6
MW:291.04116153717
CID:481966
PubChem ID:71396453
Update Time:2025-04-19
Benzenedicarboxylic acid, bis(chlorocarbonyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenedicarboxylic acid, bis(chlorocarbonyl)-
- 3,4-dicarbonochloridoylphthalic acid
- DTXSID50818016
- 3,4-Bis(chlorocarbonyl)benzene-1,2-dicarboxylic acid
- 61368-56-7
-
- Inchi： 1S/C10H4Cl2O6/c11-7(13)3-1-2-4(9(15)16)6(10(17)18)5(3)8(12)14/h1-2H,(H,15,16)(H,17,18)
- InChI Key： LZOUXCGQMIDSFN-UHFFFAOYSA-N
- SMILES： ClC(C1C(C(=O)Cl)=CC=C(C(=O)O)C=1C(=O)O)=O
Computed Properties
- Exact Mass: 289.93852
- Monoisotopic Mass: 289.9384932g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 407
- 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
- Topological Polar Surface Area: 109?2
Experimental Properties
- PSA: 108.74
Benzenedicarboxylic acid, bis(chlorocarbonyl)- Related Literature
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
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Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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