Cas no 116367-42-1 (4,6-bis(difluoromethoxy)-2-isocyanatopyrimidine)
116367-42-1 structure
Product Name:4,6-bis(difluoromethoxy)-2-isocyanatopyrimidine
CAS No:116367-42-1
MF:C7H3F4N3O3
MW:253.110635042191
CID:2614555
PubChem ID:71339070
Update Time:2025-04-21
4,6-bis(difluoromethoxy)-2-isocyanatopyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4,6-bis(difluoromethoxy)-2-isocyanatopyrimidine
- DTXSID10766564
- DTXCID40717307
- UHIFJOSHLIXHKC-UHFFFAOYSA-N
- 116367-42-1
-
- Inchi： 1S/C7H3F4N3O3/c8-5(9)16-3-1-4(17-6(10)11)14-7(13-3)12-2-15/h1,5-6H
- InChI Key： UHIFJOSHLIXHKC-UHFFFAOYSA-N
- SMILES： FC(OC1C=C(N=C(N=C=O)N=1)OC(F)F)F
Computed Properties
- Exact Mass: 253.01105361Da
- Monoisotopic Mass: 253.01105361Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 270
- 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: 3.8
- Topological Polar Surface Area: 73.7?2
4,6-bis(difluoromethoxy)-2-isocyanatopyrimidine Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Yu-Nong Li,Liang-Nian He,Xian-Dong Lang,Xiao-Fang Liu,Shuai Zhang RSC Adv., 2014,4, 49995-50002
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