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618382-87-9

618382-87-9 structural image
Product Name: 1-(3-CHLORO-4-FLUOROPHENYL)-3-(THIOPHEN-2-YL)-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula: C14H8ClFN2O2S
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COMPUTED DESCRIPTORS

Molecular Weight 322.7 g/mol
XLogP3 3.9
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 5
Rotatable Bond Count 3
Exact Mass 321.9979045 g/mol
Monoisotopic Mass 321.9979045 g/mol
Topological Polar Surface Area 83.4 Ų
Heavy Atom Count 21
Formal Charge 0
Complexity 403
Isotope Atom Count 0
Defined Atom Stereocenter Count 0
Undefined Atom Stereocenter Count 0
Defined Bond Stereocenter Count 0
Undefined Bond Stereocenter Count 0
Covalently-Bonded Unit Count 1
Compound Is Canonicalized Yes