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33549-66-5 | 4,4-Dibromo-3-methyl-2-pyrazolin-5-one, 98+%
CAS No: 33549-66-5 Catalog No: AG003KET MDL No:MFCD00015942
Product Description
Catalog Number:
AG003KET
Chemical Name:
4,4-Dibromo-3-methyl-2-pyrazolin-5-one, 98+%
CAS Number:
33549-66-5
Molecular Formula:
C4H4Br2N2O
Molecular Weight:
255.8954
MDL Number:
MFCD00015942
IUPAC Name:
4,4-dibromo-3-methyl-1H-pyrazol-5-one
InChI:
InChI=1S/C4H4Br2N2O/c1-2-4(5,6)3(9)8-7-2/h1H3,(H,8,9)
InChI Key:
QQQQLBQGDDSBCA-UHFFFAOYSA-N
SMILES:
O=C1NN=C(C1(Br)Br)C
NSC Number:
522042
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.867g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.897g/mol
Monoisotopic Mass:
253.869g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
41.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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