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89073-94-9 | 4(1H)-Pyrimidinone, 5-bromo-2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo-
CAS No: 89073-94-9 Catalog No: AG0040Y7 MDL No:
Product Description
Catalog Number:
AG0040Y7
Chemical Name:
4(1H)-Pyrimidinone, 5-bromo-2,3-dihydro-6-(2-hydroxyphenyl)-2-thioxo-
CAS Number:
89073-94-9
Molecular Formula:
C10H7BrN2O2S
Molecular Weight:
299.1438
IUPAC Name:
5-bromo-6-(2-hydroxyphenyl)-2-sulfanylidene-1H-pyrimidin-4-one
InChI:
InChI=1S/C10H7BrN2O2S/c11-7-8(12-10(16)13-9(7)15)5-3-1-2-4-6(5)14/h1-4,14H,(H2,12,13,15,16)
InChI Key:
ZQGIWGCRMULMTO-UHFFFAOYSA-N
SMILES:
Oc1ccccc1c1[nH]c(=S)[nH]c(=O)c1Br
Properties
Complexity:
370
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.941g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
299.142g/mol
Monoisotopic Mass:
297.941g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
93.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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