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Home Halogens 1(2H)-Pyrimidineaceticacid, 5-bromo-3,4-dihydro-2,4-dioxo-

1(2H)-Pyrimidineaceticacid, 5-bromo-3,4-dihydro-2,4-dioxo-

CAS No.:
31385-63-4
Catalog Number:
AG007JN7
Molecular Formula:
C6H5BrN2O4
Molecular Weight:
249.0189
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Product Description
Catalog Number:
AG007JN7
Chemical Name:
1(2H)-Pyrimidineaceticacid, 5-bromo-3,4-dihydro-2,4-dioxo-
CAS Number:
31385-63-4
Molecular Formula:
C6H5BrN2O4
Molecular Weight:
249.0189
MDL Number:
MFCD01416486
IUPAC Name:
2-(5-bromo-2,4-dioxopyrimidin-1-yl)acetic acid
InChI:
InChI=1S/C6H5BrN2O4/c7-3-1-9(2-4(10)11)6(13)8-5(3)12/h1H,2H2,(H,10,11)(H,8,12,13)
InChI Key:
GQNBZFSPZLGPFF-UHFFFAOYSA-N
SMILES:
OC(=O)Cn1cc(Br)c(=O)[nH]c1=O
Properties
Complexity:
312  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.943g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
249.02g/mol
Monoisotopic Mass:
247.943g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
86.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Properties