Cas no 14273-79-1 (Pyrimidine,2,4,6-trichloro-5-(phenylmethyl)-)
14273-79-1 structure
Product Name:Pyrimidine,2,4,6-trichloro-5-(phenylmethyl)-
CAS No:14273-79-1
MF:C11H7Cl3N2
MW:273.545679330826
CID:226600
PubChem ID:260789
Update Time:2025-04-19
Pyrimidine,2,4,6-trichloro-5-(phenylmethyl)- Chemical and Physical Properties
Names and Identifiers
-
- Pyrimidine,2,4,6-trichloro-5-(phenylmethyl)-
- 5-benzyl-2,4,6-trichloropyrimidine
- 5-benzyl-2,4,6-trichloro-pyrimidine
- 5-Benzyl-2,4,6-trichlor-pyrimidin
- AC1L63VM
- AC1Q3PQE
- AG-J-21753
- AR-1G7286
- CTK4C3262
- NCI60_042050
- NSC92504
- DTXSID30293822
- 14273-79-1
- CHEMBL1984227
- SCHEMBL11877767
- NSC-92504
-
- Inchi： 1S/C11H7Cl3N2/c12-9-8(10(13)16-11(14)15-9)6-7-4-2-1-3-5-7/h1-5H,6H2
- InChI Key： DUUCYJQQRKIAKM-UHFFFAOYSA-N
- SMILES： ClC1C(=C(N=C(N=1)Cl)Cl)CC1C=CC=CC=1
Computed Properties
- Exact Mass: 271.96771
- Monoisotopic Mass: 271.967481g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 209
- 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: 5
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
- LogP: 4.02760
Pyrimidine,2,4,6-trichloro-5-(phenylmethyl)- Related Literature
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
-
Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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