Cas no 1314390-24-3 (2-Chloro-5-(1-methoxy-1-methylethyl)pyrimidine)
1314390-24-3 structure
Product Name:2-Chloro-5-(1-methoxy-1-methylethyl)pyrimidine
CAS No:1314390-24-3
MF:C8H11ClN2O
MW:186.638740777969
CID:2122028
Update Time:2023-08-03
2-Chloro-5-(1-methoxy-1-methylethyl)pyrimidine Chemical and Physical Properties
Names and Identifiers
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- 2-chloro-5-(2-methoxypropan-2-yl)pyrimidine
- WAUFUUHMTTUESU-UHFFFAOYSA-N
- 2-chloro-5-(1-methoxy-1-methylethyl)pyrimidine
- Pyrimidine,2-chloro-5-(1-methoxy-1-methylethyl)-
- 2-Chloro-5-(1-methoxy-1-methylethyl)pyrimidine
-
- Inchi： 1S/C8H11ClN2O/c1-8(2,12-3)6-4-10-7(9)11-5-6/h4-5H,1-3H3
- InChI Key： WAUFUUHMTTUESU-UHFFFAOYSA-N
- SMILES： ClC1=NC=C(C=N1)C(C)(C)OC
Computed Properties
- Exact Mass: 186.056
- Monoisotopic Mass: 186.056
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 2
- Complexity: 144
- 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
- Topological Polar Surface Area: 35
2-Chloro-5-(1-methoxy-1-methylethyl)pyrimidine Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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