Cas no 6554-72-9 ( )
structure
Product Name:
CAS No:6554-72-9
MF:C5H2BrCl3N2
MW:276.34577703476
CID:962069
PubChem ID:232788
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 4-(bromomethyl)-2,5,6-trichloropyrimidine
- 2,4,5-Trichlor-6-brommethyl-pyrimidin
- 4-bromomethyl-2,5,6-trichloro-pyrimidine
- AC1L5ONR
- AC1Q27QB
- AG-K-66690
- AR-1F6712
- CTK5C2861
- NSC30721
- NSC 30721
- Pyrimidine, 4-(bromomethyl)-2,5,6-trichloro-
- NSC-30721
- CS-0045597
- 6554-72-9
- DTXSID10283266
-
-
- Inchi： 1S/C5H2BrCl3N2/c6-1-2-3(7)4(8)11-5(9)10-2/h1H2
- InChI Key： UQAOIYKCRSQWLR-UHFFFAOYSA-N
- SMILES： BrCC1C(=C(N=C(N=1)Cl)Cl)Cl
Computed Properties
- Exact Mass: 273.84686
- Monoisotopic Mass: 273.84669g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 137
- 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: 3.3
- Topological Polar Surface Area: 25.8?2
Experimental Properties
- PSA: 25.78
Related Literature
-
Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
-
Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
-
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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