Cas no 117090-83-2 (4-chloro-5,6-diethylpyrimidine)
117090-83-2 structure
Product Name:4-chloro-5,6-diethylpyrimidine
CAS No:117090-83-2
MF:C8H11ClN2
MW:170.639340639114
CID:2143816
PubChem ID:14209746
Update Time:2025-04-21
4-chloro-5,6-diethylpyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-5,6-diethylpyrimidine
- 117090-83-2
- SCHEMBL856427
- DB-358081
-
- Inchi： 1S/C8H11ClN2/c1-3-6-7(4-2)10-5-11-8(6)9/h5H,3-4H2,1-2H3
- InChI Key： UQZBDDFZYMBZED-UHFFFAOYSA-N
- SMILES： ClC1=C(CC)C(CC)=NC=N1
Computed Properties
- Exact Mass: 170.0610761Da
- Monoisotopic Mass: 170.0610761Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 119
- 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: 2.8
- Topological Polar Surface Area: 25.8?2
4-chloro-5,6-diethylpyrimidine Related Literature
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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Bo Wei,Zhenyu Liu,Chen Xie,Shu Yang,Wentao Tang,Aiwei Gu,Wing-Tak Wong,Ka-Leung Wong J. Mater. Chem. C, 2015,3, 12322-12327
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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