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13048-84-5 | 3H-Pyrazol-3-one, 4,4-dibromo-5-ethyl-2,4-dihydro-
CAS No: 13048-84-5 Catalog No: AG000UI1 MDL No:
Product Description
Catalog Number:
AG000UI1
Chemical Name:
3H-Pyrazol-3-one, 4,4-dibromo-5-ethyl-2,4-dihydro-
CAS Number:
13048-84-5
Molecular Formula:
C5H6Br2N2O
Molecular Weight:
269.9219
IUPAC Name:
4,4-dibromo-3-ethyl-1H-pyrazol-5-one
InChI:
InChI=1S/C5H6Br2N2O/c1-2-3-5(6,7)4(10)9-8-3/h2H2,1H3,(H,9,10)
InChI Key:
UDHIIUQXRDHTNU-UHFFFAOYSA-N
SMILES:
CCC1=NNC(=O)C1(Br)Br
NSC Number:
109908
Properties
Complexity:
200
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:
1
Isotope Atom Count:
0
Molecular Weight:
269.924g/mol
Monoisotopic Mass:
267.885g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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