Cas no 70791-18-3 (2-Propenoyl chloride, 3,3'-(1,3-phenylene)bis-)
70791-18-3 structure
Product Name:2-Propenoyl chloride, 3,3'-(1,3-phenylene)bis-
CAS No:70791-18-3
MF:C12H8Cl2O2
MW:255.09672164917
CID:546679
PubChem ID:53832490
Update Time:2025-04-19
2-Propenoyl chloride, 3,3'-(1,3-phenylene)bis- Chemical and Physical Properties
Names and Identifiers
-
- 2-Propenoyl chloride, 3,3'-(1,3-phenylene)bis-
- 3-[3-(3-chloro-3-oxoprop-1-enyl)phenyl]prop-2-enoyl chloride
- 3,3'-(1,3-Phenylene)di(prop-2-enoyl chloride)
- 70791-18-3
- SCHEMBL7927174
- DTXSID80706997
-
- Inchi： 1S/C12H8Cl2O2/c13-11(15)6-4-9-2-1-3-10(8-9)5-7-12(14)16/h1-8H
- InChI Key： GDKVGLQFXXXZAR-UHFFFAOYSA-N
- SMILES： ClC(C=CC1C=CC=C(C=CC(=O)Cl)C=1)=O
Computed Properties
- Exact Mass: 253.99024
- Monoisotopic Mass: 253.99
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 4
- Complexity: 291
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 2
- XLogP3: 3.8
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 34.14
2-Propenoyl chloride, 3,3'-(1,3-phenylene)bis- Related Literature
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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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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Hyejin Moon,Aaron R. Wheeler,Robin L. Garrell,Chang-Jin “CJ” Kim Lab Chip, 2006,6, 1213-1219
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