Cas no 4851-52-9 (Diethyl P-(2-chloroethynyl)phosphonate)
4851-52-9 structure
Product Name:Diethyl P-(2-chloroethynyl)phosphonate
CAS No:4851-52-9
MF:C6H10ClO3P
MW:196.568562030792
CID:2693203
PubChem ID:12512933
Update Time:2025-04-21
Diethyl P-(2-chloroethynyl)phosphonate Chemical and Physical Properties
Names and Identifiers
-
- diethyl chloroethynylphosphonate
- diethyl (chloroethynyl)phosphonate
- SCHEMBL5030140
- STK331810
- 4851-52-9
- Diethyl P-(2-chloroethynyl)phosphonate
- DTXSID301282303
-
- Inchi： 1S/C6H10ClO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-4H2,1-2H3
- InChI Key： NMWLXAQAGQTPLD-UHFFFAOYSA-N
- SMILES： ClC#CP(=O)(OCC)OCC
Computed Properties
- Exact Mass: 196.0056089Da
- Monoisotopic Mass: 196.0056089Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 204
- 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: 1.6
- Topological Polar Surface Area: 35.5?2
Experimental Properties
- PSA: 45.34000
- LogP: 2.40970
Diethyl P-(2-chloroethynyl)phosphonate Related Literature
-
Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
-
Partha Laskar,Christine Dufès Nanoscale Adv., 2021,3, 6007-6026
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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