Cas no 76963-44-5 (Urea, N-(2-chloro-4-pyridinyl)-N'-(3-fluorophenyl)-)
76963-44-5 structure
Product Name:Urea, N-(2-chloro-4-pyridinyl)-N'-(3-fluorophenyl)-
CAS No:76963-44-5
MF:C12H9ClFN3O
MW:265.670764684677
CID:1782715
PubChem ID:14230776
Update Time:2025-04-21
Urea, N-(2-chloro-4-pyridinyl)-N'-(3-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-(2-chloro-4-pyridinyl)-N'-(3-fluorophenyl)-
- 1-(2-chloro-4-pyridyl)-3-(3-fluorophenyl)ure
- F-PU
- N-(2-chloro-4-pyridyl)-N'-5-fluoro-phenylurea
- DTXSID801238806
- 76963-44-5
- 1-(2-CHLOROPYRIDIN-4-YL)-3-(3-FLUOROPHENYL)UREA
- SCHEMBL10717128
- N-(2-Chloro-4-pyridinyl)-Na(2)-(3-fluorophenyl)urea
- Urea, N-(2-chloro-4- pyridinyl)-N'-(3-fluorophenyl)-
- N-(2-chloro-4-pyridinyl)-N'-(3-fluorophenyl)-Urea
-
- Inchi： 1S/C12H9ClFN3O/c13-11-7-10(4-5-15-11)17-12(18)16-9-3-1-2-8(14)6-9/h1-7H,(H2,15,16,17,18)
- InChI Key： CBUADMXRPOWERQ-UHFFFAOYSA-N
- SMILES： ClC1C=C(C=CN=1)NC(NC1C=CC=C(C=1)F)=O
Computed Properties
- Exact Mass: 265.04197
- Monoisotopic Mass: 265.0418178g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 18
- Rotatable Bond Count: 4
- Complexity: 293
- 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: 2.5
- Topological Polar Surface Area: 54?2
Experimental Properties
- PSA: 54.02
Urea, N-(2-chloro-4-pyridinyl)-N'-(3-fluorophenyl)- Related Literature
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Xiaoming Liu,Zachary D. Hood,Wangda Li,Donovan N. Leonard,Arumugam Manthiram,Miaofang Chi J. Mater. Chem. A, 2021,9, 2111-2119
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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