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89363-91-7 | 4-Bromo-5-methyl-1H-pyrazol-3(2H)-one
CAS No: 89363-91-7 Catalog No: AG01EN0B MDL No:
Product Description
Catalog Number:
AG01EN0B
Chemical Name:
4-Bromo-5-methyl-1H-pyrazol-3(2H)-one
CAS Number:
89363-91-7
IUPAC Name:
4-bromo-5-methyl-1,2-dihydropyrazol-3-one
InChI:
InChI=1S/C4H5BrN2O/c1-2-3(5)4(8)7-6-2/h1H3,(H2,6,7,8)
InChI Key:
JFEULJIQSHXRQK-UHFFFAOYSA-N
Properties
Complexity:
163
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.959g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
177.001g/mol
Monoisotopic Mass:
175.959g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1
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