Cas no 16769-97-4 (2-trans-butendioic Acid Chloride)
16769-97-4 structure
Product Name:2-trans-butendioic Acid Chloride
CAS No:16769-97-4
MF:C4H2Cl2O2
MW:152.96347951889
CID:1348256
PubChem ID:5354159
Update Time:2025-04-20
2-trans-butendioic Acid Chloride Chemical and Physical Properties
Names and Identifiers
-
- 2-trans-butendioic Acid Chloride
- SCHEMBL258961
- maleic chloride
- NSC1707
- 16769-97-4
- NSC-1707
-
- MDL： MFCD00000733
- Inchi： 1S/C4H2Cl2O2/c5-3(7)1-2-4(6)8/h1-2H/b2-1-
- InChI Key： ZLYYJUJDFKGVKB-UPHRSURJSA-N
- SMILES： ClC(/C=C\C(=O)Cl)=O
Computed Properties
- Exact Mass: 146.9485
- Monoisotopic Mass: 151.9431847g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 123
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.5
- Topological Polar Surface Area: 34.1?2
Experimental Properties
- PSA: 73.94
- LogP: 1.07340
2-trans-butendioic Acid Chloride Related Literature
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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