Cas no 40889-24-5 (4-chloro-6-phenylpyrimidine-5-carbonitrile)
40889-24-5 structure
Product Name:4-chloro-6-phenylpyrimidine-5-carbonitrile
CAS No:40889-24-5
MF:C11H6ClN3
MW:215.638440608978
CID:1512982
PubChem ID:824686
Update Time:2025-04-21
4-chloro-6-phenylpyrimidine-5-carbonitrile Chemical and Physical Properties
Names and Identifiers
-
- 4-chloro-6-phenylpyrimidine-5-carbonitrile
- AC1LGO3W
- CTK7C6500
- MolPort-003-801-178
- SBB095161
- AG-C-02952
- AC-907
- 4-Chloro-6-phenyl-5-pyrimidine carbonitrile
- AC-907/34128029
- DTXSID00356473
- 40889-24-5
- 4-chloro-6-phenyl-5-pyrimidinecarbonitrile
-
- Inchi： 1S/C11H6ClN3/c12-11-9(6-13)10(14-7-15-11)8-4-2-1-3-5-8/h1-5,7H
- InChI Key： BFQQETAXLWKTMY-UHFFFAOYSA-N
- SMILES： ClC1=C(C#N)C(C2C=CC=CC=2)=NC=N1
Computed Properties
- Exact Mass: 215.0250249g/mol
- Monoisotopic Mass: 215.0250249g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 254
- 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: 49.6?2
Experimental Properties
- Density: 1.37±0.1 g/cm3 (20 oC 760 Torr),
- Solubility: Very slightly soluble (0.22 g/l) (25 o C),
4-chloro-6-phenylpyrimidine-5-carbonitrile Related Literature
-
Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
-
Nan Fu,Naphaporn Chiewchan,Xiao Dong Chen Food Funct., 2020,11, 211-220
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