Cas no 17345-68-5 (Ethanone,2-chloro-1-(2,3,4-trihydroxyphenyl)-)
17345-68-5 structure
Product Name:Ethanone,2-chloro-1-(2,3,4-trihydroxyphenyl)-
Ethanone,2-chloro-1-(2,3,4-trihydroxyphenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,2-chloro-1-(2,3,4-trihydroxyphenyl)-
- 2-chloro-1-(2,3,4-trihydroxyphenyl)ethan-1-one
- 2-chloro-1-(2,3,4-trihydroxyphenyl)ethanone
- omega-Chloro-2,3,4-trihydroxyacetophenone
- Einecs 241-368-4
- Ethanone, 2-chloro-1-(2,3,4-trihydroxyphenyl)- (9CI)
- Ethanone, 2-chloro-1-(2,3,4-trihydroxyphenyl)-
- 17345-68-5
- UTPCCKXIPAMQDD-UHFFFAOYSA-N
- MFCD01971127
- NS00025692
- VS-02736
- AKOS000276220
- DTXSID8066189
-
- Inchi： 1S/C8H7ClO4/c9-3-6(11)4-1-2-5(10)8(13)7(4)12/h1-2,10,12-13H,3H2
- InChI Key： UTPCCKXIPAMQDD-UHFFFAOYSA-N
- SMILES： ClCC(C1C=CC(=C(C=1O)O)O)=O
Computed Properties
- Exact Mass: 202.00331
- Monoisotopic Mass: 202.003
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 197
- 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: 77.8?2
Experimental Properties
- Density: 1.587
- Boiling Point: 442.5°Cat760mmHg
- Flash Point: 221.4°C
- Refractive Index: 1.653
- PSA: 77.76
Ethanone,2-chloro-1-(2,3,4-trihydroxyphenyl)- Related Literature
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Fereshteh Bayat Environ. Sci.: Nano, 2021,8, 367-389
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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