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128537-50-8

128537-50-8 structural image
Product Name: 4-BROMO-1-METHYL-3-PROPYL-1H-PYRAZOLE-5-CARBOXYLIC ACID
Formula: C8H11BrN2O2
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COMPUTED DESCRIPTORS

Molecular Weight 247.09 g/mol
XLogP3 2
Hydrogen Bond Donor Count 1
Hydrogen Bond Acceptor Count 3
Rotatable Bond Count 3
Exact Mass 246.00039 g/mol
Monoisotopic Mass 246.00039 g/mol
Topological Polar Surface Area 55.1 Ų
Heavy Atom Count 13
Formal Charge 0
Complexity 201
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