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116342-87-1 | 3H-Pyrazol-3-one, 4,4-dibromo-2,4-dihydro-2,5-dimethyl-
CAS No: 116342-87-1 Catalog No: AG000C8M MDL No:
Product Description
Catalog Number:
AG000C8M
Chemical Name:
3H-Pyrazol-3-one, 4,4-dibromo-2,4-dihydro-2,5-dimethyl-
CAS Number:
116342-87-1
Molecular Formula:
C5H6Br2N2O
Molecular Weight:
269.9219
IUPAC Name:
4,4-dibromo-2,5-dimethylpyrazol-3-one
InChI:
InChI=1S/C5H6Br2N2O/c1-3-5(6,7)4(10)9(2)8-3/h1-2H3
InChI Key:
DWWZEYOTASQVAS-UHFFFAOYSA-N
SMILES:
CN1N=C(C(C1=O)(Br)Br)C
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.883g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
269.924g/mol
Monoisotopic Mass:
267.885g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
32.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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