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15018-62-9 | 4-Pyrimidinecarboxylic acid, 5-bromo-1,2,3,6-tetrahydro-2,6-dioxo-
CAS No: 15018-62-9 Catalog No: AG001ME1 MDL No:
Product Description
Catalog Number:
AG001ME1
Chemical Name:
4-Pyrimidinecarboxylic acid, 5-bromo-1,2,3,6-tetrahydro-2,6-dioxo-
CAS Number:
15018-62-9
Molecular Formula:
C5H3BrN2O4
Molecular Weight:
234.9923
IUPAC Name:
5-bromo-2,4-dioxo-1H-pyrimidine-6-carboxylic acid
InChI:
InChI=1S/C5H3BrN2O4/c6-1-2(4(10)11)7-5(12)8-3(1)9/h(H,10,11)(H2,7,8,9,12)
InChI Key:
YQYHIPBLZSIHDI-UHFFFAOYSA-N
SMILES:
O=c1[nH]c(=O)c(c([nH]1)C(=O)O)Br
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.928g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
234.993g/mol
Monoisotopic Mass:
233.928g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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