4-(4-BROMOPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID
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4-(4-BROMOPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID
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CAS No:
94051-80-6
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Formula:
C20H17BrN2O4
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Chemical Name:
4-(4-BROMOPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID
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Synonyms:
4-(4-bromophenyl)-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)-4-oxobutanoic acid;KS-00003P3O;MFCD00170169;SBB061834;AKOS022169325;MS-6190
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CAS No:
4-(4-BROMOPHENYL)-2-(3-METHYL-5-OXO-1-PHENYL(2-PYRAZOLIN-4-YL))-4-OXOBUTANOIC ACID Basic Attributes
429.26
428.037
Computed Properties
Molecular Weight:429.3
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:428.03717
Monoisotopic Mass:428.03717
Topological Polar Surface Area:87
Heavy Atom Count:27
Complexity:622
Undefined Atom Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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