OTAVA-BBBB7020300451
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OTAVA-BBBB7020300451
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CAS No:
721915-55-5
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Formula:
C11H9FN2O3
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Chemical Name:
OTAVA-BBBB7020300451
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Synonyms:
OTAVA-BB BB7020300451;6-(4-Fluoro-phenyl)-2-oxo-1,2,3,6-tetrahydro-pyrimidine-4-carboxylic acid;6-(4-fluorophenyl)-2-oxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylic acid;6-(4-Fluorophenyl)-2-oxo-3,6-dihydro-1H-pyrimidine-4-carboxylic acid
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CAS No:
Computed Properties
Molecular Weight:236.20
XLogP3:0.9
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:236.05972032
Monoisotopic Mass:236.05972032
Topological Polar Surface Area:78.4
Heavy Atom Count:17
Complexity:362
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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