Cas no 124491-44-7 (5-Pyrimidinecarbonylbromide, 2-amino-)
124491-44-7 structure
Product Name:5-Pyrimidinecarbonylbromide, 2-amino-
CAS No:124491-44-7
MF:C5H4BrN3O
MW:202.008759498596
CID:103732
PubChem ID:45081827
Update Time:2025-04-18
5-Pyrimidinecarbonylbromide, 2-amino- Chemical and Physical Properties
Names and Identifiers
-
- 5-Pyrimidinecarbonylbromide, 2-amino-
- 2-aminopyrimidine-5-carbonyl bromide
- 5-Pyrimidinecarbonyl bromide, 2-amino- (9CI)
- 2-Aminopyrimidine-5-carbonylbromide
- DTXSID00664888
- 124491-44-7
-
- Inchi： 1S/C5H4BrN3O/c6-4(10)3-1-8-5(7)9-2-3/h1-2H,(H2,7,8,9)
- InChI Key： XKYSQBJCKBYAHV-UHFFFAOYSA-N
- SMILES： BrC(C1=CN=C(N)N=C1)=O
Computed Properties
- Exact Mass: 200.95382
- Monoisotopic Mass: 200.954
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 133
- 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: 68.9A^2
- XLogP3: 0.4
Experimental Properties
- PSA: 68.87
5-Pyrimidinecarbonylbromide, 2-amino- Related Literature
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Huading Zhang,Lee R. Moore,Maciej Zborowski,P. Stephen Williams,Shlomo Margel,Jeffrey J. Chalmers Analyst, 2005,130, 514-527
124491-44-7 (5-Pyrimidinecarbonylbromide, 2-amino-) Related Products
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