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22724-20-5 | 4-Pyrimidinecarboxaldehyde,5-bromo-1,2,3,6-tetrahydro-2,6-dioxo-
CAS No: 22724-20-5 Catalog No: AG006WWA MDL No:
Product Description
Catalog Number:
AG006WWA
Chemical Name:
4-Pyrimidinecarboxaldehyde,5-bromo-1,2,3,6-tetrahydro-2,6-dioxo-
CAS Number:
22724-20-5
Molecular Formula:
C5H3BrN2O3
Molecular Weight:
218.9929
IUPAC Name:
5-bromo-2,4-dioxo-1H-pyrimidine-6-carbaldehyde
InChI:
InChI=1S/C5H3BrN2O3/c6-3-2(1-9)7-5(11)8-4(3)10/h1H,(H2,7,8,10,11)
InChI Key:
XKLRLKRKDKRUEU-UHFFFAOYSA-N
SMILES:
O=Cc1[nH]c(=O)[nH]c(=O)c1Br
NSC Number:
153726
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.933g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
218.994g/mol
Monoisotopic Mass:
217.933g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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