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15726-38-2 | 4(3H)-Pyrimidinone, 5-bromo-6-hydroxy-
CAS No: 15726-38-2 Catalog No: AG001PCL MDL No:MFCD00047380
Product Description
Catalog Number:
AG001PCL
Chemical Name:
4(3H)-Pyrimidinone, 5-bromo-6-hydroxy-
CAS Number:
15726-38-2
Molecular Formula:
C4H3BrN2O2
Molecular Weight:
190.9828
MDL Number:
MFCD00047380
IUPAC Name:
5-bromo-4-hydroxy-1H-pyrimidin-6-one
InChI:
InChI=1S/C4H3BrN2O2/c5-2-3(8)6-1-7-4(2)9/h1H,(H2,6,7,8,9)
InChI Key:
XVXHFPZMRQXGBM-UHFFFAOYSA-N
SMILES:
Oc1nc[nH]c(=O)c1Br
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.938g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
190.984g/mol
Monoisotopic Mass:
189.938g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
61.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0
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