Cas no 928713-22-8 (ASISCHEM C63572)
ASISCHEM C63572 structure
Product Name:ASISCHEM C63572
CAS No:928713-22-8
MF:C11H7ClN2O
MW:218.6390812397
CID:892330
PubChem ID:17606311
Update Time:2025-04-19
ASISCHEM C63572 Chemical and Physical Properties
Names and Identifiers
-
- ASISCHEM C63572
- 2-(3-chlorophenyl)pyrimidine-5-carbaldehyde
- AKOS000283978
- AB49040
- SCHEMBL2221884
- CS-0358598
- 928713-22-8
- FT-0759756
-
- Inchi： 1S/C11H7ClN2O/c12-10-3-1-2-9(4-10)11-13-5-8(7-15)6-14-11/h1-7H
- InChI Key： IPUCTROOLKJTMB-UHFFFAOYSA-N
- SMILES： ClC1=CC=CC(=C1)C1N=CC(C=O)=CN=1
Computed Properties
- Exact Mass: 218.02500
- Monoisotopic Mass: 218.0246905g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 217
- 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
- Topological Polar Surface Area: 42.8?2
Experimental Properties
- PSA: 42.85000
- LogP: 2.60950
ASISCHEM C63572 Related Literature
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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