Cas no 79188-95-7 (Benzoic acid,chloro-3,4-dihydroxy- (9CI))
79188-95-7 structure
Product Name:Benzoic acid,chloro-3,4-dihydroxy- (9CI)
Benzoic acid,chloro-3,4-dihydroxy- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Benzoic acid,chloro-3,4-dihydroxy- (9CI)
- NSC 21187
- W17154
- 3-Chloro-4,5-dihydroxybenzoicacid
- MFCD01742816
- NSC-21187
- DTXSID401000328
- NSC21187
- AKOS006275956
- CS-0068147
- SCHEMBL1458206
- DS-7518
- Benzoic acid, 3-chloro-4,5-dihydroxy-
- GGUNECQLDCNDDY-UHFFFAOYSA-N
- 3-Chloro-4,5-dihydroxybenzoic acid
- 87932-49-8
- 79188-95-7
-
- Inchi： 1S/C7H5ClO4/c8-4-1-3(7(11)12)2-5(9)6(4)10/h1-2,9-10H,(H,11,12)
- InChI Key： GGUNECQLDCNDDY-UHFFFAOYSA-N
- SMILES： ClC1C(=C(C=C(C(=O)O)C=1)O)O
Computed Properties
- Exact Mass: 187.988
- Monoisotopic Mass: 187.988
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 184
- 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: 1.7
- Topological Polar Surface Area: 77.8A^2
Experimental Properties
- Density: 1.702
- Boiling Point: 391.7°C at 760 mmHg
- Flash Point: 190.7°C
- Refractive Index: 1.679
Benzoic acid,chloro-3,4-dihydroxy- (9CI) Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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