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155600-99-0 | 1H-Pyrazole, 3,5-dibromo-1-methyl-4-nitro-
CAS No: 155600-99-0 Catalog No: AG001O13 MDL No:MFCD09972218
Product Description
Catalog Number:
AG001O13
Chemical Name:
1H-Pyrazole, 3,5-dibromo-1-methyl-4-nitro-
CAS Number:
155600-99-0
Molecular Formula:
C4H3Br2N3O2
Molecular Weight:
284.8935
MDL Number:
MFCD09972218
IUPAC Name:
3,5-dibromo-1-methyl-4-nitropyrazole
InChI:
InChI=1S/C4H3Br2N3O2/c1-8-4(6)2(9(10)11)3(5)7-8/h1H3
InChI Key:
PGMQVDHYFOWDLI-UHFFFAOYSA-N
SMILES:
Cn1nc(c(c1Br)[N+](=O)[O-])Br
Properties
Complexity:
173
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
284.857g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
284.895g/mol
Monoisotopic Mass:
282.859g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
63.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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